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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)C1C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)O

Isomeric SMILES

C1CN(C(C(=O)C1C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)O

InChI

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