6-(4-methylphenyl)-N-[4-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]phenyl]-2H-chromene-3-carboxamide

Systemtic Name: 6-(4-methylphenyl)-N-[4-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]phenyl]-2H-chromene-3-carboxamide Openeye Name: N-[4-[(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-6-(p-tolyl)-2H-chromene-3-carboxamide CAS Name: 6-(4-methylphenyl)-N-[4-[(1-oxido-2-pyridin-1-iumyl)methyl]phenyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-(4-methylphenyl)-N-[4-[(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-2H-chromene-3-carboxamide Traditional Name: N-[4-[(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-6-(p-tolyl)-2H-chromene-3-carboxamide Formula: C29H24N2O3 MolecularWeight: 448.51246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCC(=C3)C(=O)NC4=CC=C(C=C4)CC5=CC=CC=[N+]5[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCC(=C3)C(=O)NC4=CC=C(C=C4)CC5=CC=CC=[N+]5[O-]

InChI

InChI=1S/C29H24N2O3/c1-20-5-9-22(10-6-20)23-11-14-28-24(17-23)18-25(19-34-28)29(32)30-26-12-7-21(8-13-26)16-27-4-2-3-15-31(27)33/h2-15,17-18H,16,19H2,1H3,(H,30,32)