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

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-(4-benzoxy-3-bromo-5-methoxy-benzyl)ammonium Formula: C20H23BrN5O4+ MolecularWeight: 477.33172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCNC(=O)C2=NON=C2N)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCNC(=O)C2=NON=C2N)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN5O4/c1-28-16-10-14(9-15(21)18(16)29-12-13-5-3-2-4-6-13)11-23-7-8-24-20(27)17-19(22)26-30-25-17/h2-6,9-10,23H,7-8,11-12H2,1H3,(H2,22,26)(H,24,27)/p+1