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

Systemtic Name: 1-(2-methoxyethyl)-6-methyl-4-oxidanylidene-3-[(R)-[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-3-yl-methyl]pyridin-2-olate Openeye Name: 3-[(R)-(4-benzylpiperidin-1-ium-1-yl)-(3-pyridyl)methyl]-1-(2-methoxyethyl)-6-methyl-4-oxo-pyridin-2-olate CAS Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(R)-[4-(phenylmethyl)-1-piperidin-1-iumyl]-(3-pyridinyl)methyl]-2-pyridinolate IUPAC Name: 3-[(R)-(4-benzylpiperidin-1-ium-1-yl)-pyridin-3-ylmethyl]-1-(2-methoxyethyl)-6-methyl-4-oxopyridin-2-olate Traditional Name: 3-[(R)-(4-benzylpiperidin-1-ium-1-yl)-(3-pyridyl)methyl]-4-keto-1-(2-methoxyethyl)-6-methyl-pyridin-2-olate Formula: C27H33N3O3 MolecularWeight: 447.56922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCOC)[O-])C(C2=CN=CC=C2)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCOC)[O-])[C@@H](C2=CN=CC=C2)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-20-17-24(31)25(27(32)30(20)15-16-33-2)26(23-9-6-12-28-19-23)29-13-10-22(11-14-29)18-21-7-4-3-5-8-21/h3-9,12,17,19,22,26,32H,10-11,13-16,18H2,1-2H3/t26-/m1/s1