sodium 1-[(4-cyano-4-pyridin-2-yl-piperidin-1-yl)methyl]-9-methyl-4-oxidanylidene-quinolizine-3-carboxylate

Systemtic Name: sodium 1-[(4-cyano-4-pyridin-2-yl-piperidin-1-yl)methyl]-9-methyl-4-oxidanylidene-quinolizine-3-carboxylate Openeye Name: sodium 1-[[4-cyano-4-(2-pyridyl)-1-piperidyl]methyl]-9-methyl-4-oxo-quinolizine-3-carboxylate CAS Name: sodium 1-[[4-cyano-4-(2-pyridinyl)-1-piperidinyl]methyl]-9-methyl-4-oxo-3-quinolizinecarboxylate IUPAC Name: sodium 1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-9-methyl-4-oxoquinolizine-3-carboxylate Traditional Name: sodium 1-[[4-cyano-4-(2-pyridyl)piperidino]methyl]-4-keto-9-methyl-quinolizine-3-carboxylate Formula: C23H21N4NaO3 MolecularWeight: 424.42761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=C(C=C(C2=O)C(=O)[O-])CN3CCC(CC3)(C#N)C4=CC=CC=N4.[Na+]

Isomeric SMILES

CC1=CC=CN2C1=C(C=C(C2=O)C(=O)[O-])CN3CCC(CC3)(C#N)C4=CC=CC=N4.[Na+]

InChI

InChI=1S/C23H22N4O3.Na/c1-16-5-4-10-27-20(16)17(13-18(21(27)28)22(29)30)14-26-11-7-23(15-24,8-12-26)19-6-2-3-9-25-19;/h2-6,9-10,13H,7-8,11-12,14H2,1H3,(H,29,30);/q;+1/p-1