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

Systemtic Name: 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]quinolin-8-olate CAS Name: 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]quinolin-8-olate Traditional Name: 7-[(S)-(4-benzylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-olate Formula: C27H27N3O MolecularWeight: 409.52278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C(C3=C(C4=C(C=CC=N4)C=C3)[O-])C5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@@H](C3=C(C4=C(C=CC=N4)C=C3)[O-])C5=CC=CC=N5

InChI

InChI=1S/C27H27N3O/c31-27-23(12-11-22-9-6-16-29-25(22)27)26(24-10-4-5-15-28-24)30-17-13-21(14-18-30)19-20-7-2-1-3-8-20/h1-12,15-16,21,26,31H,13-14,17-19H2/t26-/m0/s1