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

Systemtic Name: (E)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-4-yl-prop-2-enamide Openeye Name: (E)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(4-pyridyl)prop-2-enamide CAS Name: (E)-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-pyridin-4-yl-2-propenamide IUPAC Name: (E)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-4-ylprop-2-enamide Traditional Name: (E)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(4-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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O/c1-24(22(26)10-9-20-11-14-23-15-12-20)21-8-5-16-25(18-21)17-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,21H,5,8,13,16-18H2,1H3/p+1/b10-9+/t21-/m0/s1