ethyl N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

Systemtic Name: ethyl N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate Openeye Name: ethyl N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate CAS Name: N-[11-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate Traditional Name: N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid ethyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CC[NH+]4CCOCC4)C=C1

Isomeric SMILES

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CC[NH+]4CCOCC4)C=C1

InChI

InChI=1S/C24H29N3O4/c1-2-31-24(29)25-20-10-9-19-8-7-18-5-3-4-6-21(18)27(22(19)17-20)23(28)11-12-26-13-15-30-16-14-26/h3-6,9-10,17H,2,7-8,11-16H2,1H3,(H,25,29)/p+1