[(2S)-butan-2-yl]-(3-phenylprop-2-ynyl)azanium

Systemtic Name: [(2S)-butan-2-yl]-(3-phenylprop-2-ynyl)azanium Openeye Name: [(1S)-1-methylpropyl]-(3-phenylprop-2-ynyl)ammonium CAS Name: [(2S)-butan-2-yl]-(3-phenylprop-2-ynyl)ammonium IUPAC Name: [(2S)-butan-2-yl]-(3-phenylprop-2-ynyl)azanium Traditional Name: [(1S)-1-methylpropyl]-(3-phenylprop-2-ynyl)ammonium Formula: C13H18N+ MolecularWeight: 188.28872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N/c1-3-12(2)14-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,11H2,1-2H3/p+1/t12-/m0/s1