(5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)ethanoate chloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)acetate chloride CAS Name: 2-(3-methyl-2-phenyl-1-benzimidazol-3-iumyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(3-methyl-2-phenylbenzimidazol-3-ium-1-yl)acetate chloride Traditional Name: 2-(3-methyl-2-phenyl-benzimidazol-3-ium-1-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C26H33ClN2O2 MolecularWeight: 441.00542

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C26H33N2O2.ClH/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;1H/q+1;/p-1