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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]ammonium IUPAC Name: (2-amino-2-oxoethyl)-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium Traditional Name: (2-amino-2-keto-ethyl)-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)[NH2+]CC(=O)N

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)OC)OC)[NH2+]CC(=O)N

InChI

InChI=1S/C13H20N2O3/c1-9(15-8-13(14)16)6-10-4-5-11(17-2)12(7-10)18-3/h4-5,7,9,15H,6,8H2,1-3H3,(H2,14,16)/p+1/t9-/m0/s1