4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-ethoxy-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-ethoxy-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-6-ethoxy-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-6-ethoxyquinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-ethoxyquinolin-1-ium Traditional Name: 3-besyl-4-[(3S,5S)-3,5-dimethylpiperidino]-6-ethoxy-quinolin-1-ium Formula: C24H29N2O3S+ MolecularWeight: 425.56366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CC(CC(C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4C[C@H](C[C@@H](C4)C)C

InChI

InChI=1S/C24H28N2O3S/c1-4-29-19-10-11-22-21(13-19)24(26-15-17(2)12-18(3)16-26)23(14-25-22)30(27,28)20-8-6-5-7-9-20/h5-11,13-14,17-18H,4,12,15-16H2,1-3H3/p+1/t17-,18-/m0/s1