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

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(3-ethoxy-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(2-benzyloxy-3-ethoxy-phenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-(2-benzoxy-3-ethoxy-benzyl)ammonium Formula: C21H26N5O4+ MolecularWeight: 412.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CCNC(=O)C3=NON=C3N

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CCNC(=O)C3=NON=C3N

InChI

InChI=1S/C21H25N5O4/c1-2-28-17-10-6-9-16(19(17)29-14-15-7-4-3-5-8-15)13-23-11-12-24-21(27)18-20(22)26-30-25-18/h3-10,23H,2,11-14H2,1H3,(H2,22,26)(H,24,27)/p+1