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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-5-11(2)15(17)16(19)18-9-8-12-6-7-13(20-3)14(10-12)21-4/h6-7,10-11,15H,5,8-9,17H2,1-4H3,(H,18,19)/p+1/t11-,15-/m0/s1