2-(4-bromophenyl)-5-cyclohexyl-3-pyridin-1-ium-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Systemtic Name: 2-(4-bromophenyl)-5-cyclohexyl-3-pyridin-1-ium-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Openeye Name: 2-(4-bromophenyl)-5-cyclohexyl-3-pyridin-1-ium-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione CAS Name: 2-(4-bromophenyl)-5-cyclohexyl-3-(3-pyridin-1-iumyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione IUPAC Name: 2-(4-bromophenyl)-5-cyclohexyl-3-pyridin-1-ium-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Traditional Name: 2-(4-bromophenyl)-5-cyclohexyl-3-pyridin-1-ium-3-yl-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazole-4,6-quinone Formula: C22H23BrN3O3+ MolecularWeight: 457.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Br)C5=C[NH+]=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Br)C5=C[NH+]=CC=C5

InChI

InChI=1S/C22H22BrN3O3/c23-15-8-10-17(11-9-15)26-19(14-5-4-12-24-13-14)18-20(29-26)22(28)25(21(18)27)16-6-2-1-3-7-16/h4-5,8-13,16,18-20H,1-3,6-7H2/p+1