4-butyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]cyclohexanecarboxamide Formula: C22H37N4O3S+ MolecularWeight: 437.61918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H36N4O3S/c1-2-3-6-19-8-10-20(11-9-19)22(27)24-13-18-30(28,29)26-16-14-25(15-17-26)21-7-4-5-12-23-21/h4-5,7,12,19-20H,2-3,6,8-11,13-18H2,1H3,(H,24,27)/p+1