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

Systemtic Name: 7-[(R)-[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-2-yl-methyl]quinolin-8-ol Openeye Name: 7-[(R)-(4-benzylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-ol CAS Name: 7-[(R)-[4-(phenylmethyl)-1-piperidin-1-iumyl]-(2-pyridinyl)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(4-benzylpiperidin-1-ium-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol Traditional Name: 7-[(R)-(4-benzylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-ol Formula: C27H28N3O+ MolecularWeight: 410.53072

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/p+1/t26-/m1/s1