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

Systemtic Name: 5-chloranyl-7-[(S)-[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-2-yl-methyl]quinolin-8-olate Openeye Name: 7-[(S)-(4-benzylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]-5-chloro-quinolin-8-olate CAS Name: 5-chloro-7-[(S)-[4-(phenylmethyl)-1-piperidin-1-iumyl]-(2-pyridinyl)methyl]-8-quinolinolate IUPAC Name: 7-[(S)-(4-benzylpiperidin-1-ium-1-yl)-pyridin-2-ylmethyl]-5-chloroquinolin-8-olate Traditional Name: 7-[(S)-(4-benzylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]-5-chloro-quinolin-8-olate Formula: C27H26ClN3O MolecularWeight: 443.96784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C(C3=CC=CC=N3)C4=CC(=C5C=CC=NC5=C4[O-])Cl

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@H](C3=CC=CC=N3)C4=CC(=C5C=CC=NC5=C4[O-])Cl

InChI

InChI=1S/C27H26ClN3O/c28-23-18-22(27(32)25-21(23)9-6-14-30-25)26(24-10-4-5-13-29-24)31-15-11-20(12-16-31)17-19-7-2-1-3-8-19/h1-10,13-14,18,20,26,32H,11-12,15-17H2/t26-/m0/s1