1-[4-(2-bromanyl-4,6-dimethyl-phenoxy)butyl]-4-methyl-piperidin-1-ium

Systemtic Name: 1-[4-(2-bromanyl-4,6-dimethyl-phenoxy)butyl]-4-methyl-piperidin-1-ium Openeye Name: 1-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-4-methyl-piperidin-1-ium CAS Name: 1-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-4-methylpiperidin-1-ium IUPAC Name: 1-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-4-methylpiperidin-1-ium Traditional Name: 1-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-4-methyl-piperidin-1-ium Formula: C18H29BrNO+ MolecularWeight: 355.33296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2Br)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2Br)C)C

InChI

InChI=1S/C18H28BrNO/c1-14-6-9-20(10-7-14)8-4-5-11-21-18-16(3)12-15(2)13-17(18)19/h12-14H,4-11H2,1-3H3/p+1