1-(6-methyl-5-nitro-quinolin-1-ium-1-yl)propan-2-one

Systemtic Name: 1-(6-methyl-5-nitro-quinolin-1-ium-1-yl)propan-2-one Openeye Name: 1-(6-methyl-5-nitro-quinolin-1-ium-1-yl)propan-2-one CAS Name: 1-(6-methyl-5-nitro-1-quinolin-1-iumyl)-2-propanone IUPAC Name: 1-(6-methyl-5-nitroquinolin-1-ium-1-yl)propan-2-one Traditional Name: 1-(6-methyl-5-nitro-quinolin-1-ium-1-yl)acetone Formula: C13H13N2O3+ MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)[N+](=CC=C2)CC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1)[N+](=CC=C2)CC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N2O3/c1-9-5-6-12-11(13(9)15(17)18)4-3-7-14(12)8-10(2)16/h3-7H,8H2,1-2H3/q+1