4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidine-3-carboxylic acid Openeye Name: 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidine-3-carboxylic acid CAS Name: 4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-(carboxymethyl)-3-piperidinecarboxylic acid IUPAC Name: 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(carboxymethyl)piperidine-3-carboxylic acid Traditional Name: 4-[4-(4-amidinophenyl)piperazino]-1-(carboxymethyl)nipecotic acid Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CC(C1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(=O)O)CC(=O)O

InChI

InChI=1S/C19H27N5O4/c20-18(21)13-1-3-14(4-2-13)23-7-9-24(10-8-23)16-5-6-22(12-17(25)26)11-15(16)19(27)28/h1-4,15-16H,5-12H2,(H3,20,21)(H,25,26)(H,27,28)