phenethyl (Z)-3-phenyl-3-pyrrolidin-1-ium-1-yl-prop-2-enoate chloride

Systemtic Name: phenethyl (Z)-3-phenyl-3-pyrrolidin-1-ium-1-yl-prop-2-enoate chloride Openeye Name: phenethyl (Z)-3-phenyl-3-pyrrolidin-1-ium-1-yl-prop-2-enoate chloride CAS Name: (Z)-3-phenyl-3-(1-pyrrolidin-1-iumyl)-2-propenoic acid phenethyl ester chloride IUPAC Name: phenethyl (Z)-3-phenyl-3-pyrrolidin-1-ium-1-ylprop-2-enoate chloride Traditional Name: (Z)-3-phenyl-3-pyrrolidin-1-ium-1-yl-acrylic acid phenethyl ester chloride Formula: C21H24ClNO2 MolecularWeight: 357.87376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(=CC(=O)OCCC2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)/C(=C\C(=O)OCCC2=CC=CC=C2)/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H23NO2.ClH/c23-21(24-16-13-18-9-3-1-4-10-18)17-20(22-14-7-8-15-22)19-11-5-2-6-12-19;/h1-6,9-12,17H,7-8,13-16H2;1H/b20-17-;