1-[3-(4-methylphenyl)prop-2-ynyl]-1-prop-2-ynyl-piperidin-1-ium bromide

Systemtic Name: 1-[3-(4-methylphenyl)prop-2-ynyl]-1-prop-2-ynyl-piperidin-1-ium bromide Openeye Name: 1-prop-2-ynyl-1-[3-(p-tolyl)prop-2-ynyl]piperidin-1-ium bromide CAS Name: 1-[3-(4-methylphenyl)prop-2-ynyl]-1-prop-2-ynylpiperidin-1-ium bromide IUPAC Name: 1-[3-(4-methylphenyl)prop-2-ynyl]-1-prop-2-ynylpiperidin-1-ium bromide Traditional Name: 1-propargyl-1-[3-(p-tolyl)prop-2-ynyl]piperidin-1-ium bromide Formula: C18H22BrN MolecularWeight: 332.27798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC[N+]2(CCCCC2)CC#C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C#CC[N+]2(CCCCC2)CC#C.[Br-]

InChI

InChI=1S/C18H22N.BrH/c1-3-13-19(14-5-4-6-15-19)16-7-8-18-11-9-17(2)10-12-18;/h1,9-12H,4-6,13-16H2,2H3;1H/q+1;/p-1