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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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