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

Systemtic Name: 1,1-bis[3-(4-methylphenyl)prop-2-ynyl]piperidin-1-ium Openeye Name: 1,1-bis[3-(p-tolyl)prop-2-ynyl]piperidin-1-ium CAS Name: 1,1-bis[3-(4-methylphenyl)prop-2-ynyl]piperidin-1-ium IUPAC Name: 1,1-bis[3-(4-methylphenyl)prop-2-ynyl]piperidin-1-ium Traditional Name: 1,1-bis[3-(p-tolyl)prop-2-ynyl]piperidin-1-ium Formula: C25H28N+ MolecularWeight: 342.49652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N/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/q+1