1-(4-methylpiperidin-1-ium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol benzoate

Systemtic Name: 1-(4-methylpiperidin-1-ium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol benzoate Openeye Name: 1-(2-allylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol benzoate CAS Name: 1-(4-methyl-1-piperidin-1-iumyl)-3-(2-prop-2-enylphenoxy)-2-propanol benzoate IUPAC Name: 1-(4-methylpiperidin-1-ium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol benzoate Traditional Name: 1-(2-allylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol benzoate Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=CC=CC=C2CC=C)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC(COC2=CC=CC=C2CC=C)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C18H27NO2.C7H6O2/c1-3-6-16-7-4-5-8-18(16)21-14-17(20)13-19-11-9-15(2)10-12-19;8-7(9)6-4-2-1-3-5-6/h3-5,7-8,15,17,20H,1,6,9-14H2,2H3;1-5H,(H,8,9)