[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-prop-2-ynyl-azanium

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-prop-2-ynyl-azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-prop-2-ynyl-ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-prop-2-ynylazanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-propargyl-ammonium Formula: C13H18NO2+ MolecularWeight: 220.28752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)[NH2+]CC#C

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)OC)OC)[NH2+]CC#C

InChI

InChI=1S/C13H17NO2/c1-5-8-14-10(2)11-6-7-12(15-3)13(9-11)16-4/h1,6-7,9-10,14H,8H2,2-4H3/p+1/t10-/m0/s1