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

Systemtic Name: (1Z)-4-tert-butyl-N-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]benzenecarboximidate Openeye Name: (1Z)-4-tert-butyl-N-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]benzenecarboximidate CAS Name: (1Z)-4-tert-butyl-N-[3-[diethylamino(oxo)methyl]-1-pyridin-1-iumyl]benzenecarboximidate IUPAC Name: (1Z)-4-tert-butyl-N-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]benzenecarboximidate Traditional Name: (1Z)-4-tert-butyl-N-[3-(diethylcarbamoyl)pyridin-1-ium-1-yl]benzenecarboximidate Formula: C21H27N3O2 MolecularWeight: 353.45798

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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)C(C)(C)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-6-23(7-2)20(26)17-9-8-14-24(15-17)22-19(25)16-10-12-18(13-11-16)21(3,4)5/h8-15H,6-7H2,1-5H3