N-methoxy-N-methyl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-methoxy-N-methyl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-methoxy-N-methyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-methoxy-N-methyl-4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-methoxy-N-methyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-methoxy-N-methyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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