1-(4-tert-butylphenyl)-4-[4-(diphenylmethyl)oxypiperidin-1-ium-1-yl]butan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-4-[4-(diphenylmethyl)oxypiperidin-1-ium-1-yl]butan-1-one Openeye Name: 4-(4-benzhydryloxypiperidin-1-ium-1-yl)-1-(4-tert-butylphenyl)butan-1-one CAS Name: 1-(4-tert-butylphenyl)-4-[4-(diphenylmethyl)oxy-1-piperidin-1-iumyl]-1-butanone IUPAC Name: 4-(4-benzhydryloxypiperidin-1-ium-1-yl)-1-(4-tert-butylphenyl)butan-1-one Traditional Name: 4-(4-benzhydryloxypiperidin-1-ium-1-yl)-1-(4-tert-butylphenyl)butan-1-one Formula: C32H40NO2+ MolecularWeight: 470.6655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC[NH+]2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC[NH+]2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3/p+1