[2-(azepan-1-ium-1-yl)-1-phenyl-ethyl] (E)-3-phenylprop-2-enoate chloride

Systemtic Name: [2-(azepan-1-ium-1-yl)-1-phenyl-ethyl] (E)-3-phenylprop-2-enoate chloride Openeye Name: [2-(azepan-1-ium-1-yl)-1-phenyl-ethyl] (E)-3-phenylprop-2-enoate chloride CAS Name: (E)-3-phenyl-2-propenoic acid [2-(1-azepan-1-iumyl)-1-phenylethyl] ester chloride IUPAC Name: [2-(azepan-1-ium-1-yl)-1-phenylethyl] (E)-3-phenylprop-2-enoate chloride Traditional Name: (E)-3-phenylacrylic acid [2-(azepan-1-ium-1-yl)-1-phenyl-ethyl] ester chloride Formula: C23H28ClNO2 MolecularWeight: 385.92692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC=CC=C2)OC(=O)C=CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H27NO2.ClH/c25-23(16-15-20-11-5-3-6-12-20)26-22(21-13-7-4-8-14-21)19-24-17-9-1-2-10-18-24;/h3-8,11-16,22H,1-2,9-10,17-19H2;1H/b16-15+;