3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-pyrrolidin-1-yl-quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-pyrrolidino-quinolin-1-ium Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-15-6-8-18(12-16(15)2)28(25,26)21-14-23-20-9-7-17(27-3)13-19(20)22(21)24-10-4-5-11-24/h6-9,12-14H,4-5,10-11H2,1-3H3/p+1