[1-[1-(phenylmethyl)pyridin-1-ium-4-yl]cyclohexyl] benzoate

Systemtic Name: [1-[1-(phenylmethyl)pyridin-1-ium-4-yl]cyclohexyl] benzoate Openeye Name: [1-(1-benzylpyridin-1-ium-4-yl)cyclohexyl] benzoate CAS Name: benzoic acid [1-[1-(phenylmethyl)-4-pyridin-1-iumyl]cyclohexyl] ester IUPAC Name: [1-(1-benzylpyridin-1-ium-4-yl)cyclohexyl] benzoate Traditional Name: benzoic acid [1-(1-benzylpyridin-1-ium-4-yl)cyclohexyl] ester Formula: C25H26NO2+ MolecularWeight: 372.47944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=[N+](C=C2)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C2=CC=[N+](C=C2)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26NO2/c27-24(22-12-6-2-7-13-22)28-25(16-8-3-9-17-25)23-14-18-26(19-15-23)20-21-10-4-1-5-11-21/h1-2,4-7,10-15,18-19H,3,8-9,16-17,20H2/q+1