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

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(5-bromanyl-2-ethoxy-phenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(5-bromo-2-ethoxy-phenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(5-bromo-2-ethoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(5-bromo-2-ethoxyphenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-(5-bromo-2-ethoxy-benzyl)ammonium Formula: C14H19BrN5O3+ MolecularWeight: 385.23636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN5O3/c1-2-22-11-4-3-10(15)7-9(11)8-17-5-6-18-14(21)12-13(16)20-23-19-12/h3-4,7,17H,2,5-6,8H2,1H3,(H2,16,20)(H,18,21)/p+1