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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCC4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCC4)OC

InChI

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