6-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]hexanoic acid; ethanedioic acid

Systemtic Name: 6-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]hexanoic acid; ethanedioic acid Openeye Name: 6-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]hexanoic acid; oxalic acid CAS Name: 6-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]hexanoic acid; oxalic acid IUPAC Name: 6-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]hexanoic acid; oxalic acid Traditional Name: 6-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]hexanoic acid; oxalic acid Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)NCCCCCC(=O)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)NCCCCCC(=O)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N2O2.C2H2O4/c1-17(2)12-13-8-5-6-9-14(13)16(19-17)18-11-7-3-4-10-15(20)21;3-1(4)2(5)6/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,19)(H,20,21);(H,3,4)(H,5,6)