(2,4-dimethylphenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: (2,4-dimethylbenzyl)-[2-keto-2-(4-tosylpiperazino)ethyl]-methyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=C(C=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O3S/c1-18-6-9-22(10-7-18)30(28,29)26-13-11-25(12-14-26)23(27)17-24(4)16-21-8-5-19(2)15-20(21)3/h5-10,15H,11-14,16-17H2,1-4H3/p+1