(2-methyl-5-propan-2-yl-cyclohexyl) 2-[2-[(4-fluoranylphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: (2-methyl-5-propan-2-yl-cyclohexyl) 2-[2-[(4-fluoranylphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate Openeye Name: (5-isopropyl-2-methyl-cyclohexyl) 2-[2-[(4-fluorophenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[2-[(4-fluorophenoxy)methyl]-3-methyl-1-benzimidazol-3-iumyl]acetic acid (2-methyl-5-propan-2-ylcyclohexyl) ester IUPAC Name: (2-methyl-5-propan-2-ylcyclohexyl) 2-[2-[(4-fluorophenoxy)methyl]-3-methylbenzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[2-[(4-fluorophenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetic acid (5-isopropyl-2-methyl-cyclohexyl) ester Formula: C27H34FN2O3+ MolecularWeight: 453.568863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=C(C=C4)F)C)C(C)C

Isomeric SMILES

CC1CCC(CC1OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=C(C=C4)F)C)C(C)C

InChI

InChI=1S/C27H34FN2O3/c1-18(2)20-10-9-19(3)25(15-20)33-27(31)16-30-24-8-6-5-7-23(24)29(4)26(30)17-32-22-13-11-21(28)12-14-22/h5-8,11-14,18-20,25H,9-10,15-17H2,1-4H3/q+1