N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,2-diphenyl-ethanamide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,2-diphenyl-acetamide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-2,2-diphenylacetamide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2,2-diphenylacetamide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,2-diphenyl-acetamide Formula: C29H41N2O+ MolecularWeight: 433.64864

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4CCCCCCC4

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4CCCCCCC4

InChI

InChI=1S/C29H40N2O/c1-31(23-24-13-7-3-2-4-8-14-24)21-19-27(20-22-31)30-29(32)28(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h5-6,9-12,15-18,24,27-28H,2-4,7-8,13-14,19-23H2,1H3/p+1