[3-[(dimethylazaniumyl)methyl]-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-oxidanyl-phenyl]methyl-dimethyl-azanium dichloride

Systemtic Name: [3-[(dimethylazaniumyl)methyl]-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-oxidanyl-phenyl]methyl-dimethyl-azanium dichloride Openeye Name: [3-[(dimethylammonio)methyl]-2-hydroxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methyl-dimethyl-ammonium dichloride CAS Name: [3-[(dimethylammonio)methyl]-2-hydroxy-5-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]methyl-dimethylammonium dichloride IUPAC Name: [3-[(dimethylazaniumyl)methyl]-2-hydroxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methyl-dimethylazanium dichloride Traditional Name: [3-[(dimethylammonio)methyl]-2-hydroxy-5-[(E)-3-(4-methoxyphenyl)acryloyl]benzyl]-dimethyl-ammonium dichloride Formula: C22H30Cl2N2O3 MolecularWeight: 441.3912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC(=CC(=C1O)C[NH+](C)C)C(=O)C=CC2=CC=C(C=C2)OC.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CC1=CC(=CC(=C1O)C[NH+](C)C)C(=O)/C=C/C2=CC=C(C=C2)OC.[Cl-].[Cl-]

InChI

InChI=1S/C22H28N2O3.2ClH/c1-23(2)14-18-12-17(13-19(22(18)26)15-24(3)4)21(25)11-8-16-6-9-20(27-5)10-7-16;;/h6-13,26H,14-15H2,1-5H3;2*1H/b11-8+;;