N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-methoxy-N-methyl-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-methoxy-N-methyl-3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-methoxy-N-methyl-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C19H24N4O4S/c1-21(27-2)28(25,26)18-5-3-4-17(14-18)19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1