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

Systemtic Name: diethyl-[3-(3-methylphenyl)prop-2-ynyl]-prop-2-ynyl-azanium bromide Openeye Name: diethyl-[3-(m-tolyl)prop-2-ynyl]-prop-2-ynyl-ammonium bromide CAS Name: diethyl-[3-(3-methylphenyl)prop-2-ynyl]-prop-2-ynylammonium bromide IUPAC Name: diethyl-[3-(3-methylphenyl)prop-2-ynyl]-prop-2-ynylazanium bromide Traditional Name: diethyl-[3-(m-tolyl)prop-2-ynyl]-propargyl-ammonium bromide Formula: C17H22BrN MolecularWeight: 320.26728

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC#C)CC#CC1=CC(=CC=C1)C.[Br-]

Isomeric SMILES

CC[N+](CC)(CC#C)CC#CC1=CC(=CC=C1)C.[Br-]

InChI

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