[(1S)-1-phenylbutyl]-prop-2-ynyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h2,5-7,9-10,13-14H,3,8,11H2,1H3/p+1/t13-/m0/s1