6-methyl-4-oxidanylidene-3-[(R)-[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-4-yl-methyl]-1-(pyridin-2-ylmethyl)pyridin-2-olate

Systemtic Name: 6-methyl-4-oxidanylidene-3-[(R)-[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-4-yl-methyl]-1-(pyridin-2-ylmethyl)pyridin-2-olate Openeye Name: 3-[(R)-(4-benzylpiperidin-1-ium-1-yl)-(4-pyridyl)methyl]-6-methyl-4-oxo-1-(2-pyridylmethyl)pyridin-2-olate CAS Name: 6-methyl-4-oxo-3-[(R)-[4-(phenylmethyl)-1-piperidin-1-iumyl]-pyridin-4-ylmethyl]-1-(2-pyridinylmethyl)-2-pyridinolate IUPAC Name: 3-[(R)-(4-benzylpiperidin-1-ium-1-yl)-pyridin-4-ylmethyl]-6-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridin-2-olate Traditional Name: 3-[(R)-(4-benzylpiperidin-1-ium-1-yl)-(4-pyridyl)methyl]-4-keto-6-methyl-1-(2-pyridylmethyl)pyridin-2-olate Formula: C30H32N4O2 MolecularWeight: 480.60068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)[O-])C(C3=CC=NC=C3)[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)[O-])[C@@H](C3=CC=NC=C3)[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O2/c1-22-19-27(35)28(30(36)34(22)21-26-9-5-6-14-32-26)29(25-10-15-31-16-11-25)33-17-12-24(13-18-33)20-23-7-3-2-4-8-23/h2-11,14-16,19,24,29,36H,12-13,17-18,20-21H2,1H3/t29-/m1/s1