ethanedioic acid; 1-[4-(imidazol-1-ylmethyl)phenyl]-N-methyl-methanamine; hydrate

Systemtic Name: ethanedioic acid; 1-[4-(imidazol-1-ylmethyl)phenyl]-N-methyl-methanamine; hydrate Openeye Name: 1-[4-(imidazol-1-ylmethyl)phenyl]-N-methyl-methanamine; oxalic acid; hydrate CAS Name: 1-[4-(1-imidazolylmethyl)phenyl]-N-methylmethanamine; oxalic acid; hydrate IUPAC Name: 1-[4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine; oxalic acid; hydrate Traditional Name: [4-(imidazol-1-ylmethyl)benzyl]-methyl-amine; oxalic acid; hydrate Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)CN2C=CN=C2.C(=O)(C(=O)O)O.O

Isomeric SMILES

CNCC1=CC=C(C=C1)CN2C=CN=C2.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C12H15N3.C2H2O4.H2O/c1-13-8-11-2-4-12(5-3-11)9-15-7-6-14-10-15;3-1(4)2(5)6;/h2-7,10,13H,8-9H2,1H3;(H,3,4)(H,5,6);1H2