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

Systemtic Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-prop-2-ynyl-azanium Openeye Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-prop-2-ynyl-ammonium CAS Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-prop-2-ynylazanium Traditional Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-propargyl-ammonium Formula: C13H18N+ MolecularWeight: 188.28872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CC#C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH2+]CC#C)C

InChI

InChI=1S/C13H17N/c1-5-8-14-12(4)13-7-6-10(2)11(3)9-13/h1,6-7,9,12,14H,8H2,2-4H3/p+1/t12-/m0/s1