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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCOC)[O-])C(C2=CC=CC=N2)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCOC)[O-])[C@@H](C2=CC=CC=N2)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

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