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

Systemtic Name: methyl N-[11-(4-methylpiperazin-4-ium-1-yl)carbonyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)N2C3=CC=CC=C3CCC4=C2C=C(C=C4)NC(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)N2C3=CC=CC=C3CCC4=C2C=C(C=C4)NC(=O)OC

InChI

InChI=1S/C22H26N4O3/c1-24-11-13-25(14-12-24)22(28)26-19-6-4-3-5-16(19)7-8-17-9-10-18(15-20(17)26)23-21(27)29-2/h3-6,9-10,15H,7-8,11-14H2,1-2H3,(H,23,27)/p+1