dimethylcarbamic acid; ethanedioic acid; 2-[[hexyl(methyl)amino]methyl]pyridin-3-ol

Systemtic Name: dimethylcarbamic acid; ethanedioic acid; 2-[[hexyl(methyl)amino]methyl]pyridin-3-ol Openeye Name: dimethylcarbamic acid; 2-[[hexyl(methyl)amino]methyl]pyridin-3-ol; oxalic acid CAS Name: dimethylcarbamic acid; 2-[[hexyl(methyl)amino]methyl]-3-pyridinol; oxalic acid IUPAC Name: dimethylcarbamic acid; 2-[[hexyl(methyl)amino]methyl]pyridin-3-ol; oxalic acid Traditional Name: dimethylcarbamic acid; 2-[[hexyl(methyl)amino]methyl]pyridin-3-ol; oxalic acid Formula: C18H31N3O7 MolecularWeight: 401.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)CC1=C(C=CC=N1)O.CN(C)C(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCN(C)CC1=C(C=CC=N1)O.CN(C)C(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H22N2O.C3H7NO2.C2H2O4/c1-3-4-5-6-10-15(2)11-12-13(16)8-7-9-14-12;1-4(2)3(5)6;3-1(4)2(5)6/h7-9,16H,3-6,10-11H2,1-2H3;1-2H3,(H,5,6);(H,3,4)(H,5,6)