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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 3-(p-tolylsulfonyl)-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 3-(4-methylphenyl)sulfonyl-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 4-pyrrolidino-3-tosyl-quinolin-1-ium Formula: C20H21N2O2S+ MolecularWeight: 353.45794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S/c1-15-8-10-16(11-9-15)25(23,24)19-14-21-18-7-3-2-6-17(18)20(19)22-12-4-5-13-22/h2-3,6-11,14H,4-5,12-13H2,1H3/p+1