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

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-(3-bromo-5-ethoxy-4-methoxy-benzyl)ammonium Formula: C15H21BrN5O4+ MolecularWeight: 415.26234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN5O4/c1-3-24-11-7-9(6-10(16)13(11)23-2)8-18-4-5-19-15(22)12-14(17)21-25-20-12/h6-7,18H,3-5,8H2,1-2H3,(H2,17,21)(H,19,22)/p+1