ethanedioic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine; hydrate

Systemtic Name: ethanedioic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine; hydrate Openeye Name: oxalic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine; hydrate CAS Name: oxalic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine; hydrate IUPAC Name: oxalic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine; hydrate Traditional Name: oxalic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethylamine; hydrate Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)CCN.C(=O)(C(=O)O)O.O

Isomeric SMILES

C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)CCN.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C17H18N2.C2H2O4.H2O/c18-11-10-15-12-14-8-4-5-9-16(14)17(19-15)13-6-2-1-3-7-13;3-1(4)2(5)6;/h1-9,15H,10-12,18H2;(H,3,4)(H,5,6);1H2