2,3-bis(oxidanyl)butanedioic acid; 2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 2,3-dihydroxybutanedioic acid; 2-[3-(dimethylamino)propyl]-1-oxo-isoquinoline-4-carbonitrile CAS Name: 2,3-dihydroxybutanedioic acid; 2-[3-(dimethylamino)propyl]-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 2,3-dihydroxybutanedioic acid; 2-[3-(dimethylamino)propyl]-1-oxoisoquinoline-4-carbonitrile Traditional Name: 2-[3-(dimethylamino)propyl]-1-keto-isoquinoline-4-carbonitrile; tartaric acid Formula: C19H23N3O7 MolecularWeight: 405.40182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C=C(C2=CC=CC=C2C1=O)C#N.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCN1C=C(C2=CC=CC=C2C1=O)C#N.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C15H17N3O.C4H6O6/c1-17(2)8-5-9-18-11-12(10-16)13-6-3-4-7-14(13)15(18)19;5-1(3(7)8)2(6)4(9)10/h3-4,6-7,11H,5,8-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)