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

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(3-bromanyl-4,5-diethoxy-phenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3-bromo-4,5-diethoxy-phenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(3-bromo-4,5-diethoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3-bromo-4,5-diethoxyphenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-(3-bromo-4,5-diethoxy-benzyl)ammonium Formula: C16H23BrN5O4+ MolecularWeight: 429.28892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCNC(=O)C2=NON=C2N)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCNC(=O)C2=NON=C2N)Br)OCC

InChI

InChI=1S/C16H22BrN5O4/c1-3-24-12-8-10(7-11(17)14(12)25-4-2)9-19-5-6-20-16(23)13-15(18)22-26-21-13/h7-8,19H,3-6,9H2,1-2H3,(H2,18,22)(H,20,23)/p+1