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

Systemtic Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-(homoveratrylcarbamoyl)-3-methyl-butyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCC1=CC(=C(C=C1)OC)OC)[NH3+]

InChI

InChI=1S/C16H26N2O3/c1-11(2)9-13(17)16(19)18-8-7-12-5-6-14(20-3)15(10-12)21-4/h5-6,10-11,13H,7-9,17H2,1-4H3,(H,18,19)/p+1/t13-/m0/s1