(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2,3-bis(4-methoxyphenyl)prop-2-enoate chloride

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2,3-bis(4-methoxyphenyl)prop-2-enoate chloride Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2,3-bis(4-methoxyphenyl)prop-2-enoate chloride CAS Name: (E)-2,3-bis(4-methoxyphenyl)-2-propenoic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride IUPAC Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2,3-bis(4-methoxyphenyl)prop-2-enoate chloride Traditional Name: (E)-2,3-bis(4-methoxyphenyl)acrylic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C25H30ClNO4 MolecularWeight: 443.963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)C(=CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=C(C=C3)OC)/C4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C25H29NO4.ClH/c1-26-19-8-9-20(26)16-23(15-19)30-25(27)24(18-6-12-22(29-3)13-7-18)14-17-4-10-21(28-2)11-5-17;/h4-7,10-14,19-20,23H,8-9,15-16H2,1-3H3;1H/b24-14+;