[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 4-azanylbutanoate trihydrochloride

Systemtic Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 4-azanylbutanoate trihydrochloride Openeye Name: [(E)-3-(3-carbamimidoylphenyl)allyl] 4-aminobutanoate trihydrochloride CAS Name: 4-aminobutanoic acid [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] ester trihydrochloride IUPAC Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 4-aminobutanoate trihydrochloride Traditional Name: 4-aminobutyric acid [(E)-3-(3-amidinophenyl)allyl] ester trihydrochloride Formula: C14H22Cl3N3O2 MolecularWeight: 370.70238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2.3ClH/c15-8-2-7-13(18)19-9-3-5-11-4-1-6-12(10-11)14(16)17;;;/h1,3-6,10H,2,7-9,15H2,(H3,16,17);3*1H/b5-3+;;;