1-[(4-nitrophenyl)methyl]-N-(2,4,6-trimethylphenyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-N-(2,4,6-trimethylphenyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[(4-nitrophenyl)methyl]-N-(2,4,6-trimethylphenyl)pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[(4-nitrophenyl)methyl]-N-(2,4,6-trimethylphenyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]-N-(2,4,6-trimethylphenyl)pyridin-1-ium-3-carboxamide bromide Traditional Name: N-mesityl-1-(4-nitrobenzyl)pyridin-1-ium-3-carboxamide bromide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3.BrH/c1-15-11-16(2)21(17(3)12-15)23-22(26)19-5-4-10-24(14-19)13-18-6-8-20(9-7-18)25(27)28;/h4-12,14H,13H2,1-3H3;1H