2-(4-bromophenyl)-3-[4-(2-methoxy-4-methyl-phenoxy)butyl]-1H-quinazolin-3-ium-4-one chloride

Systemtic Name: 2-(4-bromophenyl)-3-[4-(2-methoxy-4-methyl-phenoxy)butyl]-1H-quinazolin-3-ium-4-one chloride Openeye Name: 2-(4-bromophenyl)-3-[4-(2-methoxy-4-methyl-phenoxy)butyl]-1H-quinazolin-3-ium-4-one chloride CAS Name: 2-(4-bromophenyl)-3-[4-(2-methoxy-4-methylphenoxy)butyl]-1H-quinazolin-3-ium-4-one chloride IUPAC Name: 2-(4-bromophenyl)-3-[4-(2-methoxy-4-methylphenoxy)butyl]-1H-quinazolin-3-ium-4-one chloride Traditional Name: 2-(4-bromophenyl)-3-[4-(2-methoxy-4-methyl-phenoxy)butyl]-1H-quinazolin-3-ium-4-one chloride Formula: C26H26BrClN2O3 MolecularWeight: 529.85324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC[N+]2=C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br)OC.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC[N+]2=C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br)OC.[Cl-]

InChI

InChI=1S/C26H25BrN2O3.ClH/c1-18-9-14-23(24(17-18)31-2)32-16-6-5-15-29-25(19-10-12-20(27)13-11-19)28-22-8-4-3-7-21(22)26(29)30;/h3-4,7-14,17H,5-6,15-16H2,1-2H3;1H