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

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-(o-tolylmethyl)-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-tosylpiperazino)ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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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=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CC=C3C

InChI

InChI=1S/C22H29N3O3S/c1-18-8-10-21(11-9-18)29(27,28)25-14-12-24(13-15-25)22(26)17-23(3)16-20-7-5-4-6-19(20)2/h4-11H,12-17H2,1-3H3/p+1