6-bromanyl-8-nitro-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: 6-bromanyl-8-nitro-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6-bromo-8-nitro-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: 6-bromo-8-nitro-3,3-bis(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6-bromo-8-nitro-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6-bromo-8-nitro-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one Formula: C21H30BrN3O4+2 MolecularWeight: 468.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2(COC3=C(C=C(C=C3C2=O)Br)[N+](=O)[O-])C[NH+]4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2(COC3=C(C=C(C=C3C2=O)Br)[N+](=O)[O-])C[NH+]4CCCCC4

InChI

InChI=1S/C21H28BrN3O4/c22-16-11-17-19(18(12-16)25(27)28)29-15-21(20(17)26,13-23-7-3-1-4-8-23)14-24-9-5-2-6-10-24/h11-12H,1-10,13-15H2/p+2