(4-carbamimidoylphenyl) 2-azanyl-3-methyl-benzoate hydrochloride

Systemtic Name: (4-carbamimidoylphenyl) 2-azanyl-3-methyl-benzoate hydrochloride Openeye Name: (4-carbamimidoylphenyl) 2-amino-3-methyl-benzoate hydrochloride CAS Name: 2-amino-3-methylbenzoic acid (4-carbamimidoylphenyl) ester hydrochloride IUPAC Name: (4-carbamimidoylphenyl) 2-amino-3-methylbenzoate hydrochloride Traditional Name: 2-amino-3-methyl-benzoic acid (4-amidinophenyl) ester hydrochloride Formula: C15H16ClN3O2 MolecularWeight: 305.75944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OC2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C15H15N3O2.ClH/c1-9-3-2-4-12(13(9)16)15(19)20-11-7-5-10(6-8-11)14(17)18;/h2-8H,16H2,1H3,(H3,17,18);1H