N-[2-[(4-methyl-2-propan-2-yl-phenoxy)methyl]-4-oxidanylidene-1H-quinazolin-3-ium-3-yl]pyridine-3-carboxamide chloride

Systemtic Name: N-[2-[(4-methyl-2-propan-2-yl-phenoxy)methyl]-4-oxidanylidene-1H-quinazolin-3-ium-3-yl]pyridine-3-carboxamide chloride Openeye Name: N-[2-[(2-isopropyl-4-methyl-phenoxy)methyl]-4-oxo-1H-quinazolin-3-ium-3-yl]pyridine-3-carboxamide chloride CAS Name: N-[2-[(4-methyl-2-propan-2-ylphenoxy)methyl]-4-oxo-1H-quinazolin-3-ium-3-yl]-3-pyridinecarboxamide chloride IUPAC Name: N-[2-[(4-methyl-2-propan-2-ylphenoxy)methyl]-4-oxo-1H-quinazolin-3-ium-3-yl]pyridine-3-carboxamide chloride Traditional Name: N-[2-[(2-isopropyl-4-methyl-phenoxy)methyl]-4-keto-1H-quinazolin-3-ium-3-yl]nicotinamide chloride Formula: C25H25ClN4O3 MolecularWeight: 464.944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=[N+](C(=O)C3=CC=CC=C3N2)NC(=O)C4=CN=CC=C4)C(C)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=[N+](C(=O)C3=CC=CC=C3N2)NC(=O)C4=CN=CC=C4)C(C)C.[Cl-]

InChI

InChI=1S/C25H24N4O3.ClH/c1-16(2)20-13-17(3)10-11-22(20)32-15-23-27-21-9-5-4-8-19(21)25(31)29(23)28-24(30)18-7-6-12-26-14-18;/h4-14,16H,15H2,1-3H3,(H,28,30);1H