(E)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C26H30N4O2/c1-32-24-13-11-22(12-14-24)25(29-16-6-3-7-17-29)19-27-26(31)15-10-21-18-28-30(20-21)23-8-4-2-5-9-23/h2,4-5,8-15,18,20,25H,3,6-7,16-17,19H2,1H3,(H,27,31)/p+1/b15-10+/t25-/m0/s1