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

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)-2-oxo-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(4-amidinophenyl)-2-keto-1-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C18H26N5O3+ MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(=O)CC1C2=CC=C(C=C2)C(=N)N)(CC(=O)O)N3CCNCC3

Isomeric SMILES

C1C[N+](C(=O)CC1C2=CC=C(C=C2)C(=N)N)(CC(=O)O)N3CCNCC3

InChI

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