4-(4-methoxyphenyl)carbonyl-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazol-2-one chloride

Systemtic Name: 4-(4-methoxyphenyl)carbonyl-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazol-2-one chloride Openeye Name: 4-(4-methoxybenzoyl)-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazol-2-one chloride CAS Name: 4-[(4-methoxyphenyl)-oxomethyl]-5-(1-pyridin-1-iumylmethyl)-1,3-dihydroimidazol-2-one chloride IUPAC Name: 4-(4-methoxybenzoyl)-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazol-2-one chloride Traditional Name: 4-p-anisoyl-5-(pyridin-1-ium-1-ylmethyl)-4-imidazolin-2-one chloride Formula: C17H16ClN3O3 MolecularWeight: 345.78024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(NC(=O)N2)C[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(NC(=O)N2)C[N+]3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H15N3O3.ClH/c1-23-13-7-5-12(6-8-13)16(21)15-14(18-17(22)19-15)11-20-9-3-2-4-10-20;/h2-10H,11H2,1H3,(H-,18,19,21,22);1H