4-[(4-oxidanylidene-4-piperazin-4-ium-1-yl-butanoyl)amino]benzoate

Systemtic Name: 4-[(4-oxidanylidene-4-piperazin-4-ium-1-yl-butanoyl)amino]benzoate Openeye Name: 4-[(4-oxo-4-piperazin-4-ium-1-yl-butanoyl)amino]benzoate CAS Name: 4-[[1,4-dioxo-4-(1-piperazin-4-iumyl)butyl]amino]benzoate IUPAC Name: 4-[(4-oxo-4-piperazin-4-ium-1-ylbutanoyl)amino]benzoate Traditional Name: 4-[(4-keto-4-piperazin-4-ium-1-yl-butanoyl)amino]benzoate Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H19N3O4/c19-13(5-6-14(20)18-9-7-16-8-10-18)17-12-3-1-11(2-4-12)15(21)22/h1-4,16H,5-10H2,(H,17,19)(H,21,22)