(E)-3-phenyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]prop-2-enamide CAS Name: (E)-3-phenyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-2-propenamide IUPAC Name: (E)-3-phenyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acrylamide Formula: C20H24N3O+ MolecularWeight: 322.42406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O/c24-20(12-11-17-7-2-1-3-8-17)22-19-10-6-14-23(16-19)15-18-9-4-5-13-21-18/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,22,24)/p+1/b12-11+/t19-/m0/s1