(E)-3-(1-phenylpyrazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(1-phenyl-4-pyrazolyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c30-25(14-13-23-18-27-29(20-23)24-7-3-1-4-8-24)26-17-21-9-11-22(12-10-21)19-28-15-5-2-6-16-28/h1,3-4,7-14,18,20H,2,5-6,15-17,19H2,(H,26,30)/p+1/b14-13+