1-(1H-benzimidazol-3-ium-2-ylmethyl)-4-methyl-cyclohexane-1-carboxylate

Systemtic Name: 1-(1H-benzimidazol-3-ium-2-ylmethyl)-4-methyl-cyclohexane-1-carboxylate Openeye Name: 1-(1H-benzimidazol-3-ium-2-ylmethyl)-4-methyl-cyclohexanecarboxylate CAS Name: 1-(1H-benzimidazol-3-ium-2-ylmethyl)-4-methyl-1-cyclohexanecarboxylate IUPAC Name: 1-(1H-benzimidazol-3-ium-2-ylmethyl)-4-methylcyclohexane-1-carboxylate Traditional Name: 1-(1H-benzimidazol-3-ium-2-ylmethyl)-4-methyl-cyclohexanecarboxylate Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(CC2=[NH+]C3=CC=CC=C3N2)C(=O)[O-]

Isomeric SMILES

CC1CCC(CC1)(CC2=[NH+]C3=CC=CC=C3N2)C(=O)[O-]

InChI

InChI=1S/C16H20N2O2/c1-11-6-8-16(9-7-11,15(19)20)10-14-17-12-4-2-3-5-13(12)18-14/h2-5,11H,6-10H2,1H3,(H,17,18)(H,19,20)