5-chloranyl-7-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-olate

Systemtic Name: 5-chloranyl-7-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-olate Openeye Name: 7-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-chloro-quinolin-8-olate CAS Name: 5-chloro-7-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-8-quinolinolate IUPAC Name: 7-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-chloroquinolin-8-olate Traditional Name: 7-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-chloro-quinolin-8-olate Formula: C22H23ClN2O MolecularWeight: 366.88382

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=C4C=CC=NC4=C3[O-])Cl

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=C4C=CC=NC4=C3[O-])Cl

InChI

InChI=1S/C22H23ClN2O/c23-20-14-18(22(26)21-19(20)7-4-10-24-21)15-25-11-8-17(9-12-25)13-16-5-2-1-3-6-16/h1-7,10,14,17,26H,8-9,11-13,15H2