1-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-pyridin-2-yl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-pyridin-2-yl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-pyridyl]piperazin-1-ium CAS Name: 1-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-pyridinyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridin-2-yl]piperazin-1-ium Traditional Name: 1-benzyl-4-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-pyridyl]piperazin-1-ium Formula: C24H27ClN3O2S+ MolecularWeight: 457.00808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H26ClN3O2S/c1-18-16-19(2)26-24(23(18)31(29,30)22-10-8-21(25)9-11-22)28-14-12-27(13-15-28)17-20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3/p+1