1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-3-tosyl-propan-1-one Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-18-6-8-21(9-7-18)28(26,27)15-10-22(25)24-13-11-23(12-14-24)17-20-5-3-4-19(2)16-20/h3-9,16H,10-15,17H2,1-2H3/p+1