[2-(cyanomethylamino)-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-(cyanomethylamino)-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-(cyanomethylamino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-(cyanomethylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(cyanomethylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-(cyanomethylamino)-2-keto-ethyl]-p-anisyl-ammonium Formula: C12H16N3O2+ MolecularWeight: 234.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH2+]CC(=O)NCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C[NH2+]CC(=O)NCC#N

InChI

InChI=1S/C12H15N3O2/c1-17-11-4-2-10(3-5-11)8-14-9-12(16)15-7-6-13/h2-5,14H,7-9H2,1H3,(H,15,16)/p+1