N-(2-chlorophenyl)-2-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H22ClN4O2S+ MolecularWeight: 429.94298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H21ClN4O2S/c22-16-5-1-2-6-17(16)23-19(27)15-24-10-12-26(13-11-24)21(28)20-18(7-14-29-20)25-8-3-4-9-25/h1-9,14H,10-13,15H2,(H,23,27)/p+1