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

Systemtic Name: [2-(cyanomethylamino)-2-oxidanylidene-ethyl]-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [2-(cyanomethylamino)-2-oxo-ethyl]-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [2-(cyanomethylamino)-2-oxoethyl]-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [2-(cyanomethylamino)-2-oxoethyl]-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [2-(cyanomethylamino)-2-keto-ethyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C13H18N3O2+ MolecularWeight: 248.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-18-12-4-2-11(3-5-12)6-8-15-10-13(17)16-9-7-14/h2-5,15H,6,8-10H2,1H3,(H,16,17)/p+1