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

Systemtic Name: 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-pyrrolidino-quinolin-1-ium Formula: C22H25N2O4S+ MolecularWeight: 413.5099

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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)OC)N4CCCC4

Isomeric SMILES

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

InChI

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