(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c29-24(12-11-20-17-25-28(18-20)22-9-5-2-6-10-22)26-23(21-7-3-1-4-8-21)19-27-13-15-30-16-14-27/h1-12,17-18,23H,13-16,19H2,(H,26,29)/p+1/b12-11+/t23-/m0/s1