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

Systemtic Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)acrylamide Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)/C=C/C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-29-16-14-22(15-17-29)30(2)26(32)13-12-21-19-31(23-9-4-3-5-10-23)28-27(21)25-18-20-8-6-7-11-24(20)33-25/h3-13,18-19,22H,14-17H2,1-2H3/p+1/b13-12+