2-methylpropyl(3-phenylprop-2-ynyl)azanium

Systemtic Name: 2-methylpropyl(3-phenylprop-2-ynyl)azanium Openeye Name: isobutyl(3-phenylprop-2-ynyl)ammonium CAS Name: 2-methylpropyl(3-phenylprop-2-ynyl)ammonium IUPAC Name: 2-methylpropyl(3-phenylprop-2-ynyl)azanium Traditional Name: isobutyl(3-phenylprop-2-ynyl)ammonium Formula: C13H18N+ MolecularWeight: 188.28872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N/c1-12(2)11-14-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,10-11H2,1-2H3/p+1