(3S)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-thenoyl)nipecotamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CS3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H30N4O2S/c1-17-15-19(7-8-20(17)26-12-10-25(2)11-13-26)24-22(28)18-5-3-9-27(16-18)23(29)21-6-4-14-30-21/h4,6-8,14-15,18H,3,5,9-13,16H2,1-2H3,(H,24,28)/p+1/t18-/m0/s1