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

Systemtic Name: 1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-2-yl-methyl]-4-oxidanylidene-pyridin-2-olate Openeye Name: 1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]-4-oxo-pyridin-2-olate CAS Name: 1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methyl-1-piperidin-1-iumyl)-(2-pyridinyl)methyl]-4-oxo-2-pyridinolate IUPAC Name: 1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-2-ylmethyl]-4-oxopyridin-2-olate Traditional Name: 4-keto-1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]pyridin-2-olate Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC=CC=N2)C3=C(N(C(=CC3=O)C)CCOC)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C2=CC=CC=N2)C3=C(N(C(=CC3=O)C)CCOC)[O-]

InChI

InChI=1S/C21H29N3O3/c1-15-7-10-23(11-8-15)20(17-6-4-5-9-22-17)19-18(25)14-16(2)24(21(19)26)12-13-27-3/h4-6,9,14-15,20,26H,7-8,10-13H2,1-3H3/t20-/m1/s1