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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: homoveratryl-[(1R)-2-(isopropylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-11(2)18-16(19)12(3)17-9-8-13-6-7-14(20-4)15(10-13)21-5/h6-7,10-12,17H,8-9H2,1-5H3,(H,18,19)/p+1/t12-/m1/s1