methyl 1-cyclohexyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: methyl 1-cyclohexyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: methyl 1-cyclohexyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-cyclohexyl-3-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-cyclohexyl-3-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-cyclohexyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid methyl ester Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)C3CCCCC3)C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)C3CCCCC3)C

InChI

InChI=1S/C18H25N2O2/c1-4-19-13(2)20(15-8-6-5-7-9-15)16-11-10-14(12-17(16)19)18(21)22-3/h10-12,15H,4-9H2,1-3H3/q+1