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

Systemtic Name: 6-methoxy-3-(phenylsulfonyl)-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-methoxy-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-methoxy-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-methoxy-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 3-besyl-6-methoxy-4-pyrrolidino-quinolin-1-ium Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C20H20N2O3S/c1-25-15-9-10-18-17(13-15)20(22-11-5-6-12-22)19(14-21-18)26(23,24)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3/p+1