| Properties | Image |
| MNX_ID | MNXM1107381 |
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| reference | chebi:146232 |
| formula | C21H27N2O2 |
| global charge | 1 |
| mol weight | 339.459 |
| InChIKey | NVVDQMVGALBDGE-PZXGUROGSA-O |
| InChI | InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/p+1/t13-,14+,19+,21-/m1/s1 |
| SMILES | CC[C@H]1C[C@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14+,19+,21-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:14]1[CH2:10][C@@H:13]2[CH2:11][C@@:21]3([C:20](=[O:24])[O:25][CH3:2])[c:18]4[c:16]([c:15]5[cH:6][cH:4][cH:5][cH:7][c:17]5[nH:22]4)[CH2:8][CH2:9][N@@:23]([CH2:12]2)[C@@H:19]13 |
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