N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine hydrate dihydrochloride

Systemtic Name: N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine hydrate dihydrochloride Openeye Name: N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine hydrate dihydrochloride CAS Name: N-methyl-1-[3-(1-phenylethyl)-4-imidazolyl]methanamine hydrate dihydrochloride IUPAC Name: N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine hydrate dihydrochloride Traditional Name: methyl-[[3-(1-phenylethyl)imidazol-4-yl]methyl]amine hydrate dihydrochloride Formula: C13H21Cl2N3O MolecularWeight: 306.23134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC=C2CNC.O.Cl.Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC=C2CNC.O.Cl.Cl

InChI

InChI=1S/C13H17N3.2ClH.H2O/c1-11(12-6-4-3-5-7-12)16-10-15-9-13(16)8-14-2;;;/h3-7,9-11,14H,8H2,1-2H3;2*1H;1H2