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

Systemtic Name: 6-ethoxy-3-(phenylsulfonyl)-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-ethoxy-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethoxy-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-ethoxy-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 3-besyl-6-ethoxy-4-pyrrolidino-quinolin-1-ium Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-2-26-16-10-11-19-18(14-16)21(23-12-6-7-13-23)20(15-22-19)27(24,25)17-8-4-3-5-9-17/h3-5,8-11,14-15H,2,6-7,12-13H2,1H3/p+1