5-chloranyl-7-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]quinolin-8-olate

Systemtic Name: 5-chloranyl-7-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]quinolin-8-olate CAS Name: 5-chloro-7-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]quinolin-8-olate Traditional Name: 7-[[(3S)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-5-chloro-quinolin-8-olate Formula: C18H21ClN2O3 MolecularWeight: 348.82394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C3C=CC=NC3=C2[O-])Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C3C=CC=NC3=C2[O-])Cl

InChI

InChI=1S/C18H21ClN2O3/c1-2-24-18(23)12-5-4-8-21(10-12)11-13-9-15(19)14-6-3-7-20-16(14)17(13)22/h3,6-7,9,12,22H,2,4-5,8,10-11H2,1H3/t12-/m0/s1