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

Systemtic Name: 1-[3-(3-methylphenyl)prop-2-ynyl]-1-prop-2-ynyl-piperidin-1-ium Openeye Name: 1-[3-(m-tolyl)prop-2-ynyl]-1-prop-2-ynyl-piperidin-1-ium CAS Name: 1-[3-(3-methylphenyl)prop-2-ynyl]-1-prop-2-ynylpiperidin-1-ium IUPAC Name: 1-[3-(3-methylphenyl)prop-2-ynyl]-1-prop-2-ynylpiperidin-1-ium Traditional Name: 1-[3-(m-tolyl)prop-2-ynyl]-1-propargyl-piperidin-1-ium Formula: C18H22N+ MolecularWeight: 252.37398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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