(E)-3-(5-methylfuran-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-methylfuran-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(5-methyl-2-furyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(5-methyl-2-furanyl)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(5-methylfuran-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(5-methyl-2-furyl)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C18H21N3O2/c1-14-4-6-16(23-14)7-9-18(22)20-13-15-5-8-17(19-12-15)21-10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3,(H,20,22)/p+1/b9-7+