N-(3,5-dimethoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]acetamide Formula: C22H22N3O5+ MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O5/c1-29-20-12-18(13-21(14-20)30-2)23-22(26)15-24-9-7-17(8-10-24)11-16-3-5-19(6-4-16)25(27)28/h3-10,12-14H,11,15H2,1-2H3/p+1