(1Z)-4-chloranyl-N-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]benzenecarboximidate

Systemtic Name: (1Z)-4-chloranyl-N-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]benzenecarboximidate Openeye Name: (1Z)-4-chloro-N-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]benzenecarboximidate CAS Name: (1Z)-4-chloro-N-[3-[diethylamino(oxo)methyl]-1-pyridin-1-iumyl]benzenecarboximidate IUPAC Name: (1Z)-4-chloro-N-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]benzenecarboximidate Traditional Name: (1Z)-4-chloro-N-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]benzenecarboximidate Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)N=C(C2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)/N=C(/C2=CC=C(C=C2)Cl)\[O-]

InChI

InChI=1S/C17H18ClN3O2/c1-3-20(4-2)17(23)14-6-5-11-21(12-14)19-16(22)13-7-9-15(18)10-8-13/h5-12H,3-4H2,1-2H3