1-(azepan-1-yl)-2-[4-[3-(4-methylphenyl)thiophen-2-yl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[3-(4-methylphenyl)thiophen-2-yl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[3-(p-tolyl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[3-(4-methylphenyl)-2-thiophenyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[3-(4-methylphenyl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[3-(p-tolyl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]ethanone Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O2S/c1-19-6-8-20(9-7-19)21-10-17-30-23(21)24(29)27-15-13-25(14-16-27)18-22(28)26-11-4-2-3-5-12-26/h6-10,17H,2-5,11-16,18H2,1H3/p+1