5,9-dimethyl-6-nitro-2-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide

Systemtic Name: 5,9-dimethyl-6-nitro-2-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 5,9-dimethyl-6-nitro-2-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 5,9-dimethyl-6-nitro-2-(1-quinolin-1-iumylmethyl)-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 5,9-dimethyl-6-nitro-2-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 5,9-dimethyl-6-nitro-2-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Formula: C23H19BrN2O5 MolecularWeight: 483.31136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C3=C(CC(O3)C[N+]4=CC=CC5=CC=CC=C54)C=C12)C)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C3=C(CC(O3)C[N+]4=CC=CC5=CC=CC=C54)C=C12)C)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C23H19N2O5.BrH/c1-13-18-11-16-10-17(12-24-9-5-7-15-6-3-4-8-19(15)24)29-21(16)14(2)22(18)30-23(26)20(13)25(27)28;/h3-9,11,17H,10,12H2,1-2H3;1H/q+1;/p-1