phenyl 4-[(4-carbamimidoylpyridin-3-yl)amino]butaneperoxoate

Systemtic Name: phenyl 4-[(4-carbamimidoylpyridin-3-yl)amino]butaneperoxoate Openeye Name: phenyl 4-[(4-carbamimidoyl-3-pyridyl)amino]butaneperoxoate CAS Name: 4-[(4-carbamimidoyl-3-pyridinyl)amino]butaneperoxoic acid phenyl ester IUPAC Name: phenyl 4-[(4-carbamimidoylpyridin-3-yl)amino]butaneperoxoate Traditional Name: 4-[(4-amidino-3-pyridyl)amino]peroxybutyric acid phenyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OOC(=O)CCCNC2=C(C=CN=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)OOC(=O)CCCNC2=C(C=CN=C2)C(=N)N

InChI

InChI=1S/C16H18N4O3/c17-16(18)13-8-10-19-11-14(13)20-9-4-7-15(21)23-22-12-5-2-1-3-6-12/h1-3,5-6,8,10-11,20H,4,7,9H2,(H3,17,18)