2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(5-bromanyl-2-methoxy-phenyl)methyl]azanium

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(5-bromanyl-2-methoxy-phenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(5-bromo-2-methoxy-phenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(5-bromo-2-methoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(5-bromo-2-methoxyphenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-(5-bromo-2-methoxy-benzyl)ammonium Formula: C13H17BrN5O3+ MolecularWeight: 371.20978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH2+]CCNC(=O)C2=NON=C2N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH2+]CCNC(=O)C2=NON=C2N

InChI

InChI=1S/C13H16BrN5O3/c1-21-10-3-2-9(14)6-8(10)7-16-4-5-17-13(20)11-12(15)19-22-18-11/h2-3,6,16H,4-5,7H2,1H3,(H2,15,19)(H,17,20)/p+1