2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+](C)CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+](C)CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H26N2O3/c1-6-17-16(19)12(2)18(3)10-9-13-7-8-14(20-4)15(11-13)21-5/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,19)/p+1/t12-/m0/s1