2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(4-methyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(=CC2)C3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(=CC2)C3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c1-14-2-7-18(19(12-14)23(26)27)21-20(25)13-22-10-8-16(9-11-22)15-3-5-17(24)6-4-15/h2-8,12,24H,9-11,13H2,1H3,(H,21,25)/p+1