2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxamide; ethanedioic acid

Systemtic Name: 2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxamide; ethanedioic acid Openeye Name: 2-[3-(dimethylamino)propyl]-1-oxo-isoquinoline-4-carboxamide; oxalic acid CAS Name: 2-[3-(dimethylamino)propyl]-1-oxo-4-isoquinolinecarboxamide; oxalic acid IUPAC Name: 2-[3-(dimethylamino)propyl]-1-oxoisoquinoline-4-carboxamide; oxalic acid Traditional Name: 2-[3-(dimethylamino)propyl]-1-keto-isoquinoline-4-carboxamide; oxalic acid Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2.C2H2O4/c1-17(2)8-5-9-18-10-13(14(16)19)11-6-3-4-7-12(11)15(18)20;3-1(4)2(5)6/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,16,19);(H,3,4)(H,5,6)