4-[(E)-3-(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl)prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl)prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(1,2,2,6,6-pentamethyl-1-piperidin-1-iumyl)prop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl)prop-1-enyl]benzoate Formula: C20H29NO2 MolecularWeight: 315.44976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC([N+]1(C)CC=CC2=CC=C(C=C2)C(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CCCC([N+]1(C)C/C=C/C2=CC=C(C=C2)C(=O)[O-])(C)C)C

InChI

InChI=1S/C20H29NO2/c1-19(2)13-7-14-20(3,4)21(19,5)15-6-8-16-9-11-17(12-10-16)18(22)23/h6,8-12H,7,13-15H2,1-5H3/b8-6+