[2-(cyanomethylamino)-2-oxidanylidene-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: [2-(cyanomethylamino)-2-oxidanylidene-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: [2-(cyanomethylamino)-2-oxo-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: [2-(cyanomethylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: [2-(cyanomethylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: [2-(cyanomethylamino)-2-keto-ethyl]-homoveratryl-ammonium Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3/c1-19-12-4-3-11(9-13(12)20-2)5-7-16-10-14(18)17-8-6-15/h3-4,9,16H,5,7-8,10H2,1-2H3,(H,17,18)/p+1