2-[3-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-1-ethanoyl-2-oxidanylidene-piperazin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-1-ethanoyl-2-oxidanylidene-piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-acetyl-3-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-2-oxo-piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[1-acetyl-3-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-2-oxo-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-acetyl-3-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-2-oxopiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-acetyl-3-[3-[(4-amidinobenzoyl)amino]propyl]-2-keto-piperazin-1-ium-1-yl]acetic acid Formula: C19H26N5O5+ MolecularWeight: 404.44024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCNC(C1=O)CCCNC(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O

Isomeric SMILES

CC(=O)[N+]1(CCNC(C1=O)CCCNC(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H25N5O5/c1-12(25)24(11-16(26)27)10-9-22-15(19(24)29)3-2-8-23-18(28)14-6-4-13(5-7-14)17(20)21/h4-7,15,22H,2-3,8-11H2,1H3,(H4-,20,21,23,26,27,28)/p+1