2-methyl-1-[(2R)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromen-3-yl]propan-1-one

Systemtic Name: 2-methyl-1-[(2R)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromen-3-yl]propan-1-one Openeye Name: 2-methyl-1-[(2R)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromen-3-yl]propan-1-one CAS Name: 2-methyl-1-[(2R)-2-(4-morpholin-4-iumyl)-6-nitro-2H-1-benzopyran-3-yl]-1-propanone IUPAC Name: 2-methyl-1-[(2R)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromen-3-yl]propan-1-one Traditional Name: 2-methyl-1-[(2R)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromen-3-yl]propan-1-one Formula: C17H21N2O5+ MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1[NH+]3CCOCC3

Isomeric SMILES

CC(C)C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])O[C@H]1[NH+]3CCOCC3

InChI

InChI=1S/C17H20N2O5/c1-11(2)16(20)14-10-12-9-13(19(21)22)3-4-15(12)24-17(14)18-5-7-23-8-6-18/h3-4,9-11,17H,5-8H2,1-2H3/p+1/t17-/m1/s1