2-methoxy-N-propyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: 2-methoxy-N-propyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 2-methoxy-N-propyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 2-methoxy-N-propyl-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 2-methoxy-N-propyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: 2-methoxy-N-propyl-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C20H26N4O4S/c1-3-9-22-20(25)17-15-16(7-8-18(17)28-2)29(26,27)24-13-11-23(12-14-24)19-6-4-5-10-21-19/h4-8,10,15H,3,9,11-14H2,1-2H3,(H,22,25)/p+1