N-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-2H-1,2,3,4-tetrazol-5-amine dihydrochloride

Systemtic Name: N-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-2H-1,2,3,4-tetrazol-5-amine dihydrochloride Openeye Name: N-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methyl]-2H-tetrazol-5-amine dihydrochloride CAS Name: N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine dihydrochloride IUPAC Name: N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine dihydrochloride Traditional Name: (4-allyloxy-3-chloro-5-methoxy-benzyl)-(2H-tetrazol-5-yl)amine dihydrochloride Formula: C12H16Cl3N5O2 MolecularWeight: 368.64674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=NNN=N2)Cl)OCC=C.Cl.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=NNN=N2)Cl)OCC=C.Cl.Cl

InChI

InChI=1S/C12H14ClN5O2.2ClH/c1-3-4-20-11-9(13)5-8(6-10(11)19-2)7-14-12-15-17-18-16-12;;/h3,5-6H,1,4,7H2,2H3,(H2,14,15,16,17,18);2*1H