[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 2-azanylethanoate trihydrochloride

Systemtic Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 2-azanylethanoate trihydrochloride Openeye Name: [(E)-3-(3-carbamimidoylphenyl)allyl] 2-aminoacetate trihydrochloride CAS Name: 2-aminoacetic acid [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] ester trihydrochloride IUPAC Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 2-aminoacetate trihydrochloride Traditional Name: 2-aminoacetic acid [(E)-3-(3-amidinophenyl)allyl] ester trihydrochloride Formula: C12H18Cl3N3O2 MolecularWeight: 342.64922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C=CCOC(=O)CN.Cl.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)/C=C/COC(=O)CN.Cl.Cl.Cl

InChI

InChI=1S/C12H15N3O2.3ClH/c13-8-11(16)17-6-2-4-9-3-1-5-10(7-9)12(14)15;;;/h1-5,7H,6,8,13H2,(H3,14,15);3*1H/b4-2+;;;