(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)acrylamide Formula: C25H29N4O+ MolecularWeight: 401.52396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c1-27-17-15-22(16-18-27)28(2)24(30)14-13-21-19-29(23-11-7-4-8-12-23)26-25(21)20-9-5-3-6-10-20/h3-14,19,22H,15-18H2,1-2H3/p+1/b14-13+