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

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: (4-allyloxy-3-chloro-5-methoxy-phenyl)methyl-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxy-3-chloro-5-methoxy-benzyl)-[2-[(4-aminofurazan-3-carbonyl)amino]ethyl]ammonium Formula: C16H21ClN5O4+ MolecularWeight: 382.82204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5O4/c1-3-6-25-14-11(17)7-10(8-12(14)24-2)9-19-4-5-20-16(23)13-15(18)22-26-21-13/h3,7-8,19H,1,4-6,9H2,2H3,(H2,18,22)(H,20,23)/p+1