2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-(phenylmethyl)azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-benzyl-ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-(phenylmethyl)ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-benzylazanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-benzyl-ammonium Formula: C12H16N5O2+ MolecularWeight: 262.28774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCNC(=O)C2=NON=C2N

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCNC(=O)C2=NON=C2N

InChI

InChI=1S/C12H15N5O2/c13-11-10(16-19-17-11)12(18)15-7-6-14-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2,(H2,13,17)(H,15,18)/p+1