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

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-pyrrolidino-quinolin-1-ium Formula: C21H22ClN2O3S+ MolecularWeight: 417.92898

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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)Cl)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3S/c1-2-27-16-7-10-19-18(13-16)21(24-11-3-4-12-24)20(14-23-19)28(25,26)17-8-5-15(22)6-9-17/h5-10,13-14H,2-4,11-12H2,1H3/p+1