2-[4-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-piperazin-1-yl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-piperazin-1-yl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxo-piperazin-1-yl]-1-piperidyl]acetic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxo-1-piperazinyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxopiperazin-1-yl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)-3-keto-piperazino]piperidino]acetic acid Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(CCC1N2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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