6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium

Systemtic Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 6,7-dimethoxy-3-(p-tolylsulfonyl)-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 6,7-dimethoxy-4-pyrrolidino-3-tosyl-quinolin-1-ium Formula: C22H25N2O4S+ MolecularWeight: 413.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC(=C(C=C3[NH+]=C2)OC)OC)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC(=C(C=C3[NH+]=C2)OC)OC)N4CCCC4

InChI

InChI=1S/C22H24N2O4S/c1-15-6-8-16(9-7-15)29(25,26)21-14-23-18-13-20(28-3)19(27-2)12-17(18)22(21)24-10-4-5-11-24/h6-9,12-14H,4-5,10-11H2,1-3H3/p+1