(1-methylpiperidin-1-ium-3-yl) (E)-3-(2-methoxyphenyl)prop-2-enoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) (E)-3-(2-methoxyphenyl)prop-2-enoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) (E)-3-(2-methoxyphenyl)prop-2-enoate chloride CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) (E)-3-(2-methoxyphenyl)prop-2-enoate chloride Traditional Name: (E)-3-(2-methoxyphenyl)acrylic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C=CC2=CC=CC=C2OC.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)OC(=O)/C=C/C2=CC=CC=C2OC.[Cl-]

InChI

InChI=1S/C16H21NO3.ClH/c1-17-11-5-7-14(12-17)20-16(18)10-9-13-6-3-4-8-15(13)19-2;/h3-4,6,8-10,14H,5,7,11-12H2,1-2H3;1H/b10-9+;