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

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)-2,3-bis(oxidanylidene)-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)-2,3-dioxo-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)-2,3-dioxo-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)-2,3-dioxo-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(4-amidinophenyl)-2,3-diketo-1-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C18H24N5O4+ MolecularWeight: 374.41426

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(=O)C(=O)C1C2=CC=C(C=C2)C(=N)N)(CC(=O)O)N3CCNCC3

Isomeric SMILES

C1C[N+](C(=O)C(=O)C1C2=CC=C(C=C2)C(=N)N)(CC(=O)O)N3CCNCC3

InChI

InChI=1S/C18H23N5O4/c19-17(20)13-3-1-12(2-4-13)14-5-10-23(11-15(24)25,18(27)16(14)26)22-8-6-21-7-9-22/h1-4,14,21H,5-11H2,(H3-,19,20,24,25)/p+1