5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile; (2R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile; (2R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile; (2R)-2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile; (2R)-2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile; (2R)-2,3,4-trihydroxy-4-oxobutanoate Traditional Name: 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)valeronitrile; (2R)-2,3,4-trihydroxy-4-keto-butyrate Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC([NH+](C=C1)CCCCC#N)(C2=CC=CC=C2)C3=CC=CC=C3.C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

CC1=CC([NH+](C=C1)CCCCC#N)(C2=CC=CC=C2)C3=CC=CC=C3.[C@@H](C(C(=O)O)O)(C(=O)[O-])O

InChI

InChI=1S/C23H24N2.C4H6O6/c1-20-15-18-25(17-10-4-9-16-24)23(19-20,21-11-5-2-6-12-21)22-13-7-3-8-14-22;5-1(3(7)8)2(6)4(9)10/h2-3,5-8,11-15,18-19H,4,9-10,17H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2?/m.1/s1