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

Systemtic Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxyethyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxyethyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 1-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]-oxomethoxy]ethyl ester IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylcarbamoyl]oxyethyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxyethyl ester Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N3O4/c1-21(34-27(32)24-12-8-17-29(2)20-24)35-28(33)30(3)18-9-19-31-25-13-6-4-10-22(25)15-16-23-11-5-7-14-26(23)31/h4-8,10-14,17,20-21H,9,15-16,18-19H2,1-3H3/q+1