2-[1-[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylpiperidin-4-ylidene]ethanoic acid

Systemtic Name: 2-[1-[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylpiperidin-4-ylidene]ethanoic acid Openeye Name: 2-[1-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-4-piperidylidene]acetic acid CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-4-piperidinylidene]acetic acid IUPAC Name: 2-[1-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]piperidin-4-ylidene]acetic acid Traditional Name: 2-[1-[4-(4-amidinophenyl)piperazine-1-carbonyl]-4-piperidylidene]acetic acid Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CC(=O)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1=CC(=O)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H25N5O3/c20-18(21)15-1-3-16(4-2-15)22-9-11-24(12-10-22)19(27)23-7-5-14(6-8-23)13-17(25)26/h1-4,13H,5-12H2,(H3,20,21)(H,25,26)