N-(2,5-dimethylphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanamide chloride

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: N-(2,5-dimethylphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetamide chloride CAS Name: N-(2,5-dimethylphenyl)-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]acetamide chloride IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetamide chloride Traditional Name: N-(2,5-dimethylphenyl)-2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]acetamide chloride Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C22H21N3O3.ClH/c1-16-3-4-17(2)21(13-16)23-22(26)15-24-11-9-19(10-12-24)14-18-5-7-20(8-6-18)25(27)28;/h3-13H,14-15H2,1-2H3;1H