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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-thenoyl)isonipecotamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O2S/c1-24-12-14-25(15-13-24)19-6-4-18(5-7-19)23-21(27)17-8-10-26(11-9-17)22(28)20-3-2-16-29-20/h2-7,16-17H,8-15H2,1H3,(H,23,27)/p+1