(E)-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-pyridin-4-yl-prop-2-enamide

Systemtic Name: (E)-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-pyridin-4-yl-prop-2-enamide Openeye Name: (E)-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(4-pyridyl)prop-2-enamide CAS Name: (E)-N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-3-pyridin-4-yl-2-propenamide IUPAC Name: (E)-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-pyridin-4-ylprop-2-enamide Traditional Name: (E)-N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-3-(4-pyridyl)acrylamide Formula: C20H23ClN3O+ MolecularWeight: 356.86912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)C=CC3=CC=NC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C20H22ClN3O/c21-18-6-3-17(4-7-18)14-24-13-1-2-19(15-24)23-20(25)8-5-16-9-11-22-12-10-16/h3-12,19H,1-2,13-15H2,(H,23,25)/p+1/b8-5+/t19-/m0/s1