N-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide CAS Name: N-methyl-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methylbenzamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-20-19(23)17-7-9-18(10-8-17)26(24,25)22-13-11-21(12-14-22)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,20,23)/p+1