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

Systemtic Name: (E)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-2-yl-prop-2-enamide Openeye Name: (E)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(2-pyridyl)prop-2-enamide CAS Name: (E)-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-(2-pyridinyl)-2-propenamide IUPAC Name: (E)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-2-ylprop-2-enamide Traditional Name: (E)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(2-pyridyl)acrylamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C=CC3=CC=CC=N3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C22H27N3O/c1-24(22(26)13-12-20-10-5-6-15-23-20)21-11-7-16-25(18-21)17-14-19-8-3-2-4-9-19/h2-6,8-10,12-13,15,21H,7,11,14,16-18H2,1H3/p+1/b13-12+/t21-/m0/s1