2-[4-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]-1-piperidyl]acetic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)-2-keto-piperazino]piperidino]acetic acid Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C18H25N5O3/c19-18(20)13-1-3-14(4-2-13)22-9-10-23(16(24)11-22)15-5-7-21(8-6-15)12-17(25)26/h1-4,15H,5-12H2,(H3,19,20)(H,25,26)