[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxymethyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxymethyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxymethyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]-oxomethoxy]methyl ester IUPAC Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylcarbamoyl]oxymethyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxymethyl ester Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCOC(=O)N(C)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCOC(=O)N(C)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C27H30N3O4/c1-28-16-7-11-23(19-28)26(31)33-20-34-27(32)29(2)17-8-18-30-24-12-5-3-9-21(24)14-15-22-10-4-6-13-25(22)30/h3-7,9-13,16,19H,8,14-15,17-18,20H2,1-2H3/q+1