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

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(3,4-diethoxyphenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3,4-diethoxyphenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(3,4-diethoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3,4-diethoxyphenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-(3,4-diethoxybenzyl)ammonium Formula: C16H24N5O4+ MolecularWeight: 350.39286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CCNC(=O)C2=NON=C2N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CCNC(=O)C2=NON=C2N)OCC

InChI

InChI=1S/C16H23N5O4/c1-3-23-12-6-5-11(9-13(12)24-4-2)10-18-7-8-19-16(22)14-15(17)21-25-20-14/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H2,17,21)(H,19,22)/p+1