(E)-N-methyl-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-N-methyl-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-methyl-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-N-(1-methyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-N-methyl-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylamide Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)N(C)C3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)N(C)C3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O/c1-20-9-11-21(12-10-20)26-22(19-30(27-26)24-7-5-4-6-8-24)13-14-25(31)29(3)23-15-17-28(2)18-16-23/h4-14,19,23H,15-18H2,1-3H3/p+1/b14-13+