2-[(E)-2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]oxyethyl-dimethyl-azanium chloride

Systemtic Name: 2-[(E)-2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]oxyethyl-dimethyl-azanium chloride Openeye Name: 2-[(E)-2-benzamido-3-(4-isopropoxyphenyl)prop-2-enoyl]oxyethyl-dimethyl-ammonium chloride CAS Name: 2-[(E)-2-benzamido-1-oxo-3-(4-propan-2-yloxyphenyl)prop-2-enoxy]ethyl-dimethylammonium chloride IUPAC Name: 2-[(E)-2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]oxyethyl-dimethylazanium chloride Traditional Name: 2-[(E)-2-benzamido-3-(4-isopropoxyphenyl)acryloyl]oxyethyl-dimethyl-ammonium chloride Formula: C23H29ClN2O4 MolecularWeight: 432.94036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C(=O)OCC[NH+](C)C)NC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C(\C(=O)OCC[NH+](C)C)/NC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C23H28N2O4.ClH/c1-17(2)29-20-12-10-18(11-13-20)16-21(23(27)28-15-14-25(3)4)24-22(26)19-8-6-5-7-9-19;/h5-13,16-17H,14-15H2,1-4H3,(H,24,26);1H/b21-16+;