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

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(2-benzyloxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(3-methoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3-methoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-(2-benzoxy-3-methoxy-benzyl)ammonium Formula: C20H24N5O4+ MolecularWeight: 398.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CCNC(=O)C3=NON=C3N

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CCNC(=O)C3=NON=C3N

InChI

InChI=1S/C20H23N5O4/c1-27-16-9-5-8-15(18(16)28-13-14-6-3-2-4-7-14)12-22-10-11-23-20(26)17-19(21)25-29-24-17/h2-9,22H,10-13H2,1H3,(H2,21,25)(H,23,26)/p+1