[(2S)-1-[2-(2,5-dimethoxyphenyl)ethylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(2,5-dimethoxyphenyl)ethylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[2-(2,5-dimethoxyphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(2,5-dimethoxyphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]-3-methyl-butyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-11(2)9-14(17)16(19)18-8-7-12-10-13(20-3)5-6-15(12)21-4/h5-6,10-11,14H,7-9,17H2,1-4H3,(H,18,19)/p+1/t14-/m0/s1