5-chloranyl-2-methoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 5-chloro-2-methoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 5-chloro-2-methoxy-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 5-chloro-2-methoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]benzamide Formula: C19H24ClN4O4S+ MolecularWeight: 439.93626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O4S/c1-28-17-6-5-15(20)14-16(17)19(25)22-8-13-29(26,27)24-11-9-23(10-12-24)18-4-2-3-7-21-18/h2-7,14H,8-13H2,1H3,(H,22,25)/p+1