4-[(4-carbamimidoylphenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[(4-carbamimidoylphenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[(4-carbamimidoylphenyl)methyl]-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[(4-carbamimidoylphenyl)methyl]-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[(4-carbamimidoylphenyl)methyl]-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-(4-amidinobenzyl)-3-keto-piperazine-1-carboxylic acid Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)O)CC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(=O)CN1C(=O)O)CC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C13H16N4O3/c14-12(15)10-3-1-9(2-4-10)7-16-5-6-17(13(19)20)8-11(16)18/h1-4H,5-8H2,(H3,14,15)(H,19,20)