4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-pyridin-1-ium

Systemtic Name: 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-pyridin-1-ium Openeye Name: 4,6-dimethyl-3-(p-tolylsulfonyl)-2-pyrrolidin-1-yl-pyridin-1-ium CAS Name: 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-(1-pyrrolidinyl)pyridin-1-ium IUPAC Name: 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-ylpyridin-1-ium Traditional Name: 4,6-dimethyl-2-pyrrolidino-3-tosyl-pyridin-1-ium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C(C=C2C)C)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C(C=C2C)C)N3CCCC3

InChI

InChI=1S/C18H22N2O2S/c1-13-6-8-16(9-7-13)23(21,22)17-14(2)12-15(3)19-18(17)20-10-4-5-11-20/h6-9,12H,4-5,10-11H2,1-3H3/p+1