2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-[[5-(2-chlorophenyl)-2-thiophenyl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]nicotinamide Formula: C21H22ClN4OS+ MolecularWeight: 413.94358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3Cl)C4=C(C=CC=N4)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3Cl)C4=C(C=CC=N4)C(=O)N

InChI

InChI=1S/C21H21ClN4OS/c22-18-6-2-1-4-16(18)19-8-7-15(28-19)14-25-10-12-26(13-11-25)21-17(20(23)27)5-3-9-24-21/h1-9H,10-14H2,(H2,23,27)/p+1