6-methyl-3,3-bis(morpholin-4-ium-4-ylmethyl)-8-nitro-2H-chromen-4-one

Systemtic Name: 6-methyl-3,3-bis(morpholin-4-ium-4-ylmethyl)-8-nitro-2H-chromen-4-one Openeye Name: 6-methyl-3,3-bis(morpholin-4-ium-4-ylmethyl)-8-nitro-chroman-4-one CAS Name: 6-methyl-3,3-bis(4-morpholin-4-iumylmethyl)-8-nitro-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6-methyl-3,3-bis(morpholin-4-ium-4-ylmethyl)-8-nitro-2H-chromen-4-one Traditional Name: 6-methyl-3,3-bis(morpholin-4-ium-4-ylmethyl)-8-nitro-chroman-4-one Formula: C20H29N3O6+2 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(CO2)(C[NH+]3CCOCC3)C[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(CO2)(C[NH+]3CCOCC3)C[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O6/c1-15-10-16-18(17(11-15)23(25)26)29-14-20(19(16)24,12-21-2-6-27-7-3-21)13-22-4-8-28-9-5-22/h10-11H,2-9,12-14H2,1H3/p+2