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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N4O2S/c1-17-16-19(26-13-11-25(2)12-14-26)5-6-20(17)24-22(28)18-7-9-27(10-8-18)23(29)21-4-3-15-30-21/h3-6,15-16,18H,7-14H2,1-2H3,(H,24,28)/p+1