[(3S)-1-methylpiperidin-1-ium-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C16H22NO3+ MolecularWeight: 276.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-17-11-3-4-15(12-17)20-16(18)10-7-13-5-8-14(19-2)9-6-13/h5-10,15H,3-4,11-12H2,1-2H3/p+1/b10-7+/t15-/m0/s1