[(3R)-1-methylpiperidin-1-ium-3-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate Openeye Name: [(3R)-1-methylpiperidin-1-ium-3-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid [(3R)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-methylpiperidin-1-ium-3-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)acrylic acid [(3R)-1-methylpiperidin-1-ium-3-yl] ester Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCC[C@H](C1)OC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C16H21NO3/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/p+1/b10-9+/t14-/m1/s1