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

Systemtic Name: ethyl N-[11-(4-methylpiperazin-4-ium-1-yl)carbonyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate Openeye Name: ethyl N-[11-(4-methylpiperazin-4-ium-1-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate CAS Name: N-[11-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[11-(4-methylpiperazin-4-ium-1-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate Traditional Name: N-[11-(4-methylpiperazin-4-ium-1-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid ethyl ester Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)N4CC[NH+](CC4)C)C=C1

Isomeric SMILES

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)N4CC[NH+](CC4)C)C=C1

InChI

InChI=1S/C23H28N4O3/c1-3-30-22(28)24-19-11-10-18-9-8-17-6-4-5-7-20(17)27(21(18)16-19)23(29)26-14-12-25(2)13-15-26/h4-7,10-11,16H,3,8-9,12-15H2,1-2H3,(H,24,28)/p+1