4-methyl-N-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-methyl-N-[3-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]propyl]-4-methyl-benzenesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-18-6-8-21(9-7-18)29(27,28)23-11-10-22(26)25-14-12-24(13-15-25)17-20-5-3-4-19(2)16-20/h3-9,16,23H,10-15,17H2,1-2H3/p+1