2-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-(2-carbamimidoyl-4-hydroxy-phenyl)-3-oxo-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxo-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxo-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(2-amidino-4-hydroxy-phenyl)-3-keto-1-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C18H26N5O4+ MolecularWeight: 376.43014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4/c19-18(20)15-9-12(24)1-2-13(15)14-3-8-23(10-16(14)25,11-17(26)27)22-6-4-21-5-7-22/h1-2,9,14,21H,3-8,10-11H2,(H4-,19,20,24,26,27)/p+1