4-[4-(diphenylmethyl)oxypiperidin-1-ium-1-yl]-1-[4-(2-methyl-1-oxidanyl-propan-2-yl)phenyl]butan-1-one

Systemtic Name: 4-[4-(diphenylmethyl)oxypiperidin-1-ium-1-yl]-1-[4-(2-methyl-1-oxidanyl-propan-2-yl)phenyl]butan-1-one Openeye Name: 4-(4-benzhydryloxypiperidin-1-ium-1-yl)-1-[4-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]butan-1-one CAS Name: 4-[4-(diphenylmethyl)oxy-1-piperidin-1-iumyl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-butanone IUPAC Name: 4-(4-benzhydryloxypiperidin-1-ium-1-yl)-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butan-1-one Traditional Name: 4-(4-benzhydryloxypiperidin-1-ium-1-yl)-1-[4-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]butan-1-one Formula: C32H40NO3+ MolecularWeight: 486.6649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H39NO3/c1-32(2,24-34)28-17-15-25(16-18-28)30(35)14-9-21-33-22-19-29(20-23-33)36-31(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,29,31,34H,9,14,19-24H2,1-2H3/p+1