2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]azanium Traditional Name: [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl]-homoveratryl-ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH2+]CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

C[C@H](C(=O)NCC=C)[NH2+]CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H24N2O3/c1-5-9-18-16(19)12(2)17-10-8-13-6-7-14(20-3)15(11-13)21-4/h5-7,11-12,17H,1,8-10H2,2-4H3,(H,18,19)/p+1/t12-/m1/s1