[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-ethylazanium Traditional Name: benzyl-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]-ethyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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