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

Systemtic Name: N-methoxy-N-methyl-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-methoxy-N-methyl-3-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-methoxy-N-methyl-3-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-methoxy-N-methyl-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-methoxy-N-methyl-3-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)OC

InChI

InChI=1S/C21H27N3O4S/c1-17-6-4-7-18(14-17)16-23-10-12-24(13-11-23)21(25)19-8-5-9-20(15-19)29(26,27)22(2)28-3/h4-9,14-15H,10-13,16H2,1-3H3/p+1