ethanedioic acid; N-methyl-1-quinolin-6-yl-methanamine; hydrate

Systemtic Name: ethanedioic acid; N-methyl-1-quinolin-6-yl-methanamine; hydrate Openeye Name: N-methyl-1-(6-quinolyl)methanamine; oxalic acid; hydrate CAS Name: N-methyl-1-(6-quinolinyl)methanamine; oxalic acid; hydrate IUPAC Name: N-methyl-1-quinolin-6-ylmethanamine; oxalic acid; hydrate Traditional Name: methyl(6-quinolylmethyl)amine; oxalic acid; hydrate Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC2=C(C=C1)N=CC=C2.C(=O)(C(=O)O)O.O

Isomeric SMILES

CNCC1=CC2=C(C=C1)N=CC=C2.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C11H12N2.C2H2O4.H2O/c1-12-8-9-4-5-11-10(7-9)3-2-6-13-11;3-1(4)2(5)6;/h2-7,12H,8H2,1H3;(H,3,4)(H,5,6);1H2