(E)-3-(4-propan-2-ylphenyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(4-propan-2-ylphenyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]prop-2-enamide CAS Name: (E)-3-(4-propan-2-ylphenyl)-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(4-propan-2-ylphenyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]prop-2-enamide Traditional Name: (E)-3-p-cumenyl-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]acrylamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

InChI

InChI=1S/C22H27N3O/c1-17(2)20-8-5-18(6-9-20)7-10-22(26)24-16-19-11-12-23-21(15-19)25-13-3-4-14-25/h5-12,15,17H,3-4,13-14,16H2,1-2H3,(H,24,26)/p+1/b10-7+