3-(4-methoxyphenyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Openeye Name: 3-(4-methoxyphenyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide CAS Name: 3-(4-methoxyphenyl)-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Traditional Name: 3-(4-methoxyphenyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]propionamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H28N4O4S/c1-29-19-8-5-18(6-9-19)7-10-21(26)23-12-17-30(27,28)25-15-13-24(14-16-25)20-4-2-3-11-22-20/h2-6,8-9,11H,7,10,12-17H2,1H3,(H,23,26)/p+1