methyl 3-cyclohexyl-4-(cyclohexylamino)-1-methyl-benzimidazol-3-ium-5-carboxylate

Systemtic Name: methyl 3-cyclohexyl-4-(cyclohexylamino)-1-methyl-benzimidazol-3-ium-5-carboxylate Openeye Name: methyl 3-cyclohexyl-4-(cyclohexylamino)-1-methyl-benzimidazol-3-ium-5-carboxylate CAS Name: 3-cyclohexyl-4-(cyclohexylamino)-1-methyl-5-benzimidazol-3-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-cyclohexyl-4-(cyclohexylamino)-1-methylbenzimidazol-3-ium-5-carboxylate Traditional Name: 3-cyclohexyl-4-(cyclohexylamino)-1-methyl-benzimidazol-3-ium-5-carboxylic acid methyl ester Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C=CC(=C2NC3CCCCC3)C(=O)OC)C4CCCCC4

Isomeric SMILES

CN1C=[N+](C2=C1C=CC(=C2NC3CCCCC3)C(=O)OC)C4CCCCC4

InChI

InChI=1S/C22H31N3O2/c1-24-15-25(17-11-7-4-8-12-17)21-19(24)14-13-18(22(26)27-2)20(21)23-16-9-5-3-6-10-16/h13-17H,3-12H2,1-2H3/p+1