3-[(S)-(4-ethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-1-(furan-2-ylmethyl)-6-methyl-4-oxidanylidene-pyridin-2-olate

Systemtic Name: 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-1-(furan-2-ylmethyl)-6-methyl-4-oxidanylidene-pyridin-2-olate Openeye Name: 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-1-(2-furylmethyl)-6-methyl-4-oxo-pyridin-2-olate CAS Name: 3-[(S)-(4-ethoxyphenyl)-(1-piperidin-1-iumyl)methyl]-1-(2-furanylmethyl)-6-methyl-4-oxo-2-pyridinolate IUPAC Name: 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ium-1-ylmethyl]-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridin-2-olate Traditional Name: 1-(2-furfuryl)-4-keto-6-methyl-3-[(S)-piperidin-1-ium-1-yl(p-phenetyl)methyl]pyridin-2-olate Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=C(N(C(=CC2=O)C)CC3=CC=CO3)[O-])[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](C2=C(N(C(=CC2=O)C)CC3=CC=CO3)[O-])[NH+]4CCCCC4

InChI

InChI=1S/C25H30N2O4/c1-3-30-20-11-9-19(10-12-20)24(26-13-5-4-6-14-26)23-22(28)16-18(2)27(25(23)29)17-21-8-7-15-31-21/h7-12,15-16,24,29H,3-6,13-14,17H2,1-2H3/t24-/m0/s1