2-[1-(3-hydroxyphenyl)-2-methyl-3-(phenylmethyl)piperidin-3-yl]-1-phenyl-ethanone hydrate dihydrobromide

Systemtic Name: 2-[1-(3-hydroxyphenyl)-2-methyl-3-(phenylmethyl)piperidin-3-yl]-1-phenyl-ethanone hydrate dihydrobromide Openeye Name: 2-[3-benzyl-1-(3-hydroxyphenyl)-2-methyl-3-piperidyl]-1-phenyl-ethanone hydrate dihydrobromide CAS Name: 2-[1-(3-hydroxyphenyl)-2-methyl-3-(phenylmethyl)-3-piperidinyl]-1-phenylethanone hydrate dihydrobromide IUPAC Name: 2-[3-benzyl-1-(3-hydroxyphenyl)-2-methylpiperidin-3-yl]-1-phenylethanone hydrate dihydrobromide Traditional Name: 2-[3-benzyl-1-(3-hydroxyphenyl)-2-methyl-3-piperidyl]-1-phenyl-ethanone hydrate dihydrobromide Formula: C54H62Br2N2O5 MolecularWeight: 978.88848

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCN1C2=CC(=CC=C2)O)(CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4.CC1C(CCCN1C2=CC(=CC=C2)O)(CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4.O.Br.Br

Isomeric SMILES

CC1C(CCCN1C2=CC(=CC=C2)O)(CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4.CC1C(CCCN1C2=CC(=CC=C2)O)(CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4.O.Br.Br

InChI

InChI=1S/2C27H29NO2.2BrH.H2O/c2*1-21-27(19-22-10-4-2-5-11-22,20-26(30)23-12-6-3-7-13-23)16-9-17-28(21)24-14-8-15-25(29)18-24;;;/h2*2-8,10-15,18,21,29H,9,16-17,19-20H2,1H3;2*1H;1H2