2-methyl-1-[(2S)-6-nitro-2-piperidin-1-ium-1-yl-2H-chromen-3-yl]propan-1-one

Systemtic Name: 2-methyl-1-[(2S)-6-nitro-2-piperidin-1-ium-1-yl-2H-chromen-3-yl]propan-1-one Openeye Name: 2-methyl-1-[(2S)-6-nitro-2-piperidin-1-ium-1-yl-2H-chromen-3-yl]propan-1-one CAS Name: 2-methyl-1-[(2S)-6-nitro-2-(1-piperidin-1-iumyl)-2H-1-benzopyran-3-yl]-1-propanone IUPAC Name: 2-methyl-1-[(2S)-6-nitro-2-piperidin-1-ium-1-yl-2H-chromen-3-yl]propan-1-one Traditional Name: 2-methyl-1-[(2S)-6-nitro-2-piperidin-1-ium-1-yl-2H-chromen-3-yl]propan-1-one Formula: C18H23N2O4+ MolecularWeight: 331.38622

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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+]3CCCCC3

Isomeric SMILES

CC(C)C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])O[C@@H]1[NH+]3CCCCC3

InChI

InChI=1S/C18H22N2O4/c1-12(2)17(21)15-11-13-10-14(20(22)23)6-7-16(13)24-18(15)19-8-4-3-5-9-19/h6-7,10-12,18H,3-5,8-9H2,1-2H3/p+1/t18-/m0/s1