4-[3,4-bis(azanyl)-5-methyl-phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3,4-bis(azanyl)-5-methyl-phenyl]piperazine-1-carboxylic acid Openeye Name: 4-(3,4-diamino-5-methyl-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3,4-diamino-5-methylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3,4-diamino-5-methylphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3,4-diamino-5-methyl-phenyl)piperazine-1-carboxylic acid Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)N)N2CCN(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1N)N)N2CCN(CC2)C(=O)O

InChI

InChI=1S/C12H18N4O2/c1-8-6-9(7-10(13)11(8)14)15-2-4-16(5-3-15)12(17)18/h6-7H,2-5,13-14H2,1H3,(H,17,18)