6-methyl-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium

Systemtic Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 6-methyl-3-(p-tolylsulfonyl)-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 6-methyl-4-pyrrolidino-3-tosyl-quinolin-1-ium Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCC4)C

InChI

InChI=1S/C21H22N2O2S/c1-15-5-8-17(9-6-15)26(24,25)20-14-22-19-10-7-16(2)13-18(19)21(20)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3/p+1