ethyl 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C23H27N3O3/c1-2-29-23(28)25-15-13-24(14-16-25)17-22(27)26-20-9-5-3-7-18(20)11-12-19-8-4-6-10-21(19)26/h3-10H,2,11-17H2,1H3/p+1