2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: 2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-benzamide CAS Name: 2-methyl-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methylbenzamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-benzamide Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)N

InChI

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