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

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acrylamide Formula: C24H27N4O+ MolecularWeight: 387.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O/c29-23(25-15-18-27-16-7-8-17-27)14-13-21-19-28(22-11-5-2-6-12-22)26-24(21)20-9-3-1-4-10-20/h1-6,9-14,19H,7-8,15-18H2,(H,25,29)/p+1/b14-13+