(E)-3-(1-methylpyrazol-4-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C17H21N5O/c1-21-13-15(12-20-21)5-7-17(23)19-11-14-4-6-16(18-10-14)22-8-2-3-9-22/h4-7,10,12-13H,2-3,8-9,11H2,1H3,(H,19,23)/p+1/b7-5+