5-chloranyl-7-[(S)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-pyridin-2-yl-methyl]quinolin-8-olate

Systemtic Name: 5-chloranyl-7-[(S)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-pyridin-2-yl-methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[(S)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-olate CAS Name: 5-chloro-7-[(S)-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-(2-pyridinyl)methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[(S)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-pyridin-2-ylmethyl]quinolin-8-olate Traditional Name: 7-[(S)-(4-carbethoxypiperidin-1-ium-1-yl)-(2-pyridyl)methyl]-5-chloro-quinolin-8-olate Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl

InChI

InChI=1S/C23H24ClN3O3/c1-2-30-23(29)15-8-12-27(13-9-15)21(19-7-3-4-10-25-19)17-14-18(24)16-6-5-11-26-20(16)22(17)28/h3-7,10-11,14-15,21,28H,2,8-9,12-13H2,1H3/t21-/m0/s1