[(2S)-2-cyano-3-(3,4-dimethoxyphenyl)propyl]azanium

Systemtic Name: [(2S)-2-cyano-3-(3,4-dimethoxyphenyl)propyl]azanium Openeye Name: [(2S)-2-cyano-3-(3,4-dimethoxyphenyl)propyl]ammonium CAS Name: [(2S)-2-cyano-3-(3,4-dimethoxyphenyl)propyl]ammonium IUPAC Name: [(2S)-2-cyano-3-(3,4-dimethoxyphenyl)propyl]azanium Traditional Name: [(2S)-2-cyano-3-(3,4-dimethoxyphenyl)propyl]ammonium Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C[NH3+])C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](C[NH3+])C#N)OC

InChI

InChI=1S/C12H16N2O2/c1-15-11-4-3-9(6-12(11)16-2)5-10(7-13)8-14/h3-4,6,10H,5,7,13H2,1-2H3/p+1/t10-/m0/s1