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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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