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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-pyrrolidino-quinolin-1-ium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCCC4

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCCC4

InChI

InChI=1S/C23H26N2O3S/c1-4-28-18-8-10-21-20(14-18)23(25-11-5-6-12-25)22(15-24-21)29(26,27)19-9-7-16(2)17(3)13-19/h7-10,13-15H,4-6,11-12H2,1-3H3/p+1