(E)-3-(3,4-dichlorophenyl)-1-[(3R,4R)-4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-1-methyl-4-oxidanyl-piperidin-1-ium-3-yl]prop-2-en-1-one bromide

Systemtic Name: (E)-3-(3,4-dichlorophenyl)-1-[(3R,4R)-4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-1-methyl-4-oxidanyl-piperidin-1-ium-3-yl]prop-2-en-1-one bromide Openeye Name: (E)-3-(3,4-dichlorophenyl)-1-[(3R,4R)-4-[(E)-2-(3,4-dichlorophenyl)vinyl]-1-ethyl-4-hydroxy-1-methyl-piperidin-1-ium-3-yl]prop-2-en-1-one bromide CAS Name: (E)-3-(3,4-dichlorophenyl)-1-[(3R,4R)-4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxy-1-methyl-3-piperidin-1-iumyl]-2-propen-1-one bromide IUPAC Name: (E)-3-(3,4-dichlorophenyl)-1-[(3R,4R)-4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]prop-2-en-1-one bromide Traditional Name: (E)-3-(3,4-dichlorophenyl)-1-[(3R,4R)-4-[(E)-2-(3,4-dichlorophenyl)vinyl]-1-ethyl-4-hydroxy-1-methyl-piperidin-1-ium-3-yl]prop-2-en-1-one bromide Formula: C25H26BrCl4NO2 MolecularWeight: 594.19544

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(C(C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)(C=CC3=CC(=C(C=C3)Cl)Cl)O)C.[Br-]

Isomeric SMILES

CC[N+]1(CC[C@]([C@@H](C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)(/C=C/C3=CC(=C(C=C3)Cl)Cl)O)C.[Br-]

InChI

InChI=1S/C25H26Cl4NO2.BrH/c1-3-30(2)13-12-25(32,11-10-18-5-8-21(27)23(29)15-18)19(16-30)24(31)9-6-17-4-7-20(26)22(28)14-17;/h4-11,14-15,19,32H,3,12-13,16H2,1-2H3;1H/q+1;/p-1/b9-6+,11-10+;/t19-,25-,30?;/m0./s1