2-(4-methylpiperazin-4-ium-1-yl)-N-(4-oxidanylcyclohexyl)-6-thiophen-2-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-(4-oxidanylcyclohexyl)-6-thiophen-2-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-hydroxycyclohexyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(2-thienyl)pyridin-1-ium-3-carboxamide CAS Name: N-(4-hydroxycyclohexyl)-2-(4-methyl-1-piperazin-4-iumyl)-6-thiophen-2-yl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-hydroxycyclohexyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-2-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-hydroxycyclohexyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-(2-thienyl)pyridin-1-ium-3-carboxamide Formula: C21H30N4O2S+2 MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C(=O)NC4CCC(CC4)O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C(=O)NC4CCC(CC4)O

InChI

InChI=1S/C21H28N4O2S/c1-24-10-12-25(13-11-24)20-17(8-9-18(23-20)19-3-2-14-28-19)21(27)22-15-4-6-16(26)7-5-15/h2-3,8-9,14-16,26H,4-7,10-13H2,1H3,(H,22,27)/p+2