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

Systemtic Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 3-azanylpropanoate trihydrochloride Openeye Name: [(E)-3-(3-carbamimidoylphenyl)allyl] 3-aminopropanoate trihydrochloride CAS Name: 3-aminopropanoic acid [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] ester trihydrochloride IUPAC Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 3-aminopropanoate trihydrochloride Traditional Name: 3-aminopropionic acid [(E)-3-(3-amidinophenyl)allyl] ester trihydrochloride Formula: C13H20Cl3N3O2 MolecularWeight: 356.6758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2.3ClH/c14-7-6-12(17)18-8-2-4-10-3-1-5-11(9-10)13(15)16;;;/h1-5,9H,6-8,14H2,(H3,15,16);3*1H/b4-2+;;;