3-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-3-piperidin-4-yl-imidazolidin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-3-piperidin-4-yl-imidazolidin-1-ium-1-yl]propanoic acid Openeye Name: 3-[1-(4-carbamimidoylphenyl)-2-oxo-3-(4-piperidyl)imidazolidin-1-ium-1-yl]propanoic acid CAS Name: 3-[1-(4-carbamimidoylphenyl)-2-oxo-3-(4-piperidinyl)-1-imidazolidin-1-iumyl]propanoic acid IUPAC Name: 3-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidin-4-ylimidazolidin-1-ium-1-yl]propanoic acid Traditional Name: 3-[1-(4-amidinophenyl)-2-keto-3-(4-piperidyl)imidazolidin-1-ium-1-yl]propionic acid Formula: C18H26N5O3+ MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CC[N+](C2=O)(CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CNCCC1N2CC[N+](C2=O)(CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

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