(E)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H29N4O+ MolecularWeight: 353.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C=CC1=CN(N=C1)C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)/C=C/C1=CN(N=C1)C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C21H28N4O/c1-21(2,24-13-7-4-8-14-24)17-22-20(26)12-11-18-15-23-25(16-18)19-9-5-3-6-10-19/h3,5-6,9-12,15-16H,4,7-8,13-14,17H2,1-2H3,(H,22,26)/p+1/b12-11+