4,6-dimethyl-3-(2-methylphenyl)sulfonyl-N-(phenylmethyl)pyridin-1-ium-2-amine

Systemtic Name: 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-N-(phenylmethyl)pyridin-1-ium-2-amine Openeye Name: N-benzyl-4,6-dimethyl-3-(o-tolylsulfonyl)pyridin-1-ium-2-amine CAS Name: 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-N-(phenylmethyl)-2-pyridin-1-iumamine IUPAC Name: N-benzyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-1-ium-2-amine Traditional Name: benzyl-[4,6-dimethyl-3-(o-tolylsulfonyl)pyridin-1-ium-2-yl]amine Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)C2=C([NH+]=C(C=C2C)C)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)C2=C([NH+]=C(C=C2C)C)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-15-9-7-8-12-19(15)26(24,25)20-16(2)13-17(3)23-21(20)22-14-18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23)/p+1