[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C18H26NO3+ MolecularWeight: 304.40394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H25NO3/c1-15(14-19-12-4-3-5-13-19)22-18(20)11-8-16-6-9-17(21-2)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3/p+1/b11-8+/t15-/m1/s1