3-piperidin-1-ium-1-ylpropyl 11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxylate

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl 11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxylate Openeye Name: 3-piperidin-1-ium-1-ylpropyl 11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxylate CAS Name: 11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxylic acid 3-(1-piperidin-1-iumyl)propyl ester IUPAC Name: 3-piperidin-1-ium-1-ylpropyl 11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxylate Traditional Name: 11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxylic acid 3-piperidin-1-ium-1-ylpropyl ester Formula: C28H40N3O2+ MolecularWeight: 450.6361

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2CC(C3=CC=CC=C31)C(=O)OCCC[NH+]4CCCCC4

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2CC(C3=CC=CC=C31)C(=O)OCCC[NH+]4CCCCC4

InChI

InChI=1S/C28H39N3O2/c1-29(2)16-10-20-31-26-14-6-4-12-23(26)22-25(24-13-5-7-15-27(24)31)28(32)33-21-11-19-30-17-8-3-9-18-30/h4-7,12-15,25H,3,8-11,16-22H2,1-2H3/p+1