N-[2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]ethanamide

Systemtic Name: N-[2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]ethanamide Openeye Name: N-[2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]acetamide CAS Name: N-[2-methoxy-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide Traditional Name: N-[2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]acetamide Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C18H22N4O4S/c1-14(23)20-16-13-15(6-7-17(16)26-2)27(24,25)22-11-9-21(10-12-22)18-5-3-4-8-19-18/h3-8,13H,9-12H2,1-2H3,(H,20,23)/p+1