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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCNC(=O)C2=NON=C2N)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCNC(=O)C2=NON=C2N)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4/c1-28-18-13-16(7-8-17(18)29-12-9-15-5-3-2-4-6-15)14-23-10-11-24-21(27)19-20(22)26-30-25-19/h2-8,13,23H,9-12,14H2,1H3,(H2,22,26)(H,24,27)/p+1