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

Systemtic Name: 1,1-bis[3-(4-methylphenyl)prop-2-ynyl]piperidin-1-ium bromide Openeye Name: 1,1-bis[3-(p-tolyl)prop-2-ynyl]piperidin-1-ium bromide CAS Name: 1,1-bis[3-(4-methylphenyl)prop-2-ynyl]piperidin-1-ium bromide IUPAC Name: 1,1-bis[3-(4-methylphenyl)prop-2-ynyl]piperidin-1-ium bromide Traditional Name: 1,1-bis[3-(p-tolyl)prop-2-ynyl]piperidin-1-ium bromide Formula: C25H28BrN MolecularWeight: 422.40052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC[N+]2(CCCCC2)CC#CC3=CC=C(C=C3)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C#CC[N+]2(CCCCC2)CC#CC3=CC=C(C=C3)C.[Br-]

InChI

InChI=1S/C25H28N.BrH/c1-22-10-14-24(15-11-22)8-6-20-26(18-4-3-5-19-26)21-7-9-25-16-12-23(2)13-17-25;/h10-17H,3-5,18-21H2,1-2H3;1H/q+1;/p-1