1-[[6-[(1-oxidanylpyridin-1-ium-3-yl)methyl]-2H-chromen-3-yl]methyl]urea

Systemtic Name: 1-[[6-[(1-oxidanylpyridin-1-ium-3-yl)methyl]-2H-chromen-3-yl]methyl]urea Openeye Name: [6-[(1-hydroxypyridin-1-ium-3-yl)methyl]-2H-chromen-3-yl]methylurea CAS Name: [6-[(1-hydroxy-3-pyridin-1-iumyl)methyl]-2H-1-benzopyran-3-yl]methylurea IUPAC Name: [6-[(1-hydroxypyridin-1-ium-3-yl)methyl]-2H-chromen-3-yl]methylurea Traditional Name: [6-[(1-hydroxypyridin-1-ium-3-yl)methyl]-2H-chromen-3-yl]methylurea Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(O1)C=CC(=C2)CC3=C[N+](=CC=C3)O)CNC(=O)N

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)CC3=C[N+](=CC=C3)O)CNC(=O)N

InChI

InChI=1S/C17H17N3O3/c18-17(21)19-9-14-8-15-7-12(3-4-16(15)23-11-14)6-13-2-1-5-20(22)10-13/h1-5,7-8,10H,6,9,11H2,(H3-,18,19,21,22)/p+1