[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)ethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)acetate CAS Name: 2-(3-methyl-2-phenyl-1-benzimidazol-3-iumyl)acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(3-methyl-2-phenylbenzimidazol-3-ium-1-yl)acetate Traditional Name: 2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=CC=C4)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=CC=C4)C)C(C)C

InChI

InChI=1S/C26H33N2O2/c1-18(2)21-15-14-19(3)16-24(21)30-25(29)17-28-23-13-9-8-12-22(23)27(4)26(28)20-10-6-5-7-11-20/h5-13,18-19,21,24H,14-17H2,1-4H3/q+1/t19-,21+,24-/m0/s1