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

Systemtic Name: 2-[(E)-2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]oxyethyl-dimethyl-azanium Openeye Name: 2-[(E)-2-benzamido-3-(4-isopropoxyphenyl)prop-2-enoyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[(E)-2-benzamido-1-oxo-3-(4-propan-2-yloxyphenyl)prop-2-enoxy]ethyl-dimethylammonium IUPAC Name: 2-[(E)-2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]oxyethyl-dimethylazanium Traditional Name: 2-[(E)-2-benzamido-3-(4-isopropoxyphenyl)acryloyl]oxyethyl-dimethyl-ammonium Formula: C23H29N2O4+ MolecularWeight: 397.48736

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/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)/p+1/b21-16+