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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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