diethyl-[3-(2-methylphenyl)prop-2-ynyl]-prop-2-ynyl-azanium

Systemtic Name: diethyl-[3-(2-methylphenyl)prop-2-ynyl]-prop-2-ynyl-azanium Openeye Name: diethyl-[3-(o-tolyl)prop-2-ynyl]-prop-2-ynyl-ammonium CAS Name: diethyl-[3-(2-methylphenyl)prop-2-ynyl]-prop-2-ynylammonium IUPAC Name: diethyl-[3-(2-methylphenyl)prop-2-ynyl]-prop-2-ynylazanium Traditional Name: diethyl-[3-(o-tolyl)prop-2-ynyl]-propargyl-ammonium Formula: C17H22N+ MolecularWeight: 240.36328

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC#C)CC#CC1=CC=CC=C1C

Isomeric SMILES

CC[N+](CC)(CC#C)CC#CC1=CC=CC=C1C

InChI

InChI=1S/C17H22N/c1-5-14-18(6-2,7-3)15-10-13-17-12-9-8-11-16(17)4/h1,8-9,11-12H,6-7,14-15H2,2-4H3/q+1