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

Systemtic Name: diethyl-[3-(3-methylphenyl)prop-2-ynyl]-prop-2-enyl-azanium bromide Openeye Name: allyl-diethyl-[3-(m-tolyl)prop-2-ynyl]ammonium bromide CAS Name: diethyl-[3-(3-methylphenyl)prop-2-ynyl]-prop-2-enylammonium bromide IUPAC Name: diethyl-[3-(3-methylphenyl)prop-2-ynyl]-prop-2-enylazanium bromide Traditional Name: allyl-diethyl-[3-(m-tolyl)prop-2-ynyl]ammonium bromide Formula: C17H24BrN MolecularWeight: 322.28316

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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/C17H24N.BrH/c1-5-13-18(6-2,7-3)14-9-12-17-11-8-10-16(4)15-17;/h5,8,10-11,15H,1,6-7,13-14H2,2-4H3;1H/q+1;/p-1