2-[4-(4-carbamimidoylphenyl)-2,5-bis(oxidanylidene)-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)-2,5-bis(oxidanylidene)-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)-2,5-dioxo-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)-2,5-dioxo-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)-2,5-dioxo-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(4-amidinophenyl)-2,5-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:

C1CN(CCN1)[N+]2(CC(=O)C(CC2=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(CCN1)[N+]2(CC(=O)C(CC2=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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