(E)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C23H26N4O2/c28-23(12-11-19-16-25-27(18-19)20-8-3-1-4-9-20)24-17-21(22-10-7-15-29-22)26-13-5-2-6-14-26/h1,3-4,7-12,15-16,18,21H,2,5-6,13-14,17H2,(H,24,28)/p+1/b12-11+/t21-/m0/s1