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

Systemtic Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C24H28N5O+ MolecularWeight: 402.51202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O/c1-27-15-12-21(13-16-27)28(2)23(30)11-10-20-18-29(22-8-4-3-5-9-22)26-24(20)19-7-6-14-25-17-19/h3-11,14,17-18,21H,12-13,15-16H2,1-2H3/p+1/b11-10+