N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1-(2-thenoyl)isonipecotamide Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-24-10-12-25(13-11-24)19-5-4-17(15-22-19)23-20(27)16-6-8-26(9-7-16)21(28)18-3-2-14-29-18/h2-5,14-16H,6-13H2,1H3,(H,23,27)/p+1