1-(2,6-dimethyl-5-nitro-isoquinolin-2-ium-1-yl)propan-2-one

Systemtic Name: 1-(2,6-dimethyl-5-nitro-isoquinolin-2-ium-1-yl)propan-2-one Openeye Name: 1-(2,6-dimethyl-5-nitro-isoquinolin-2-ium-1-yl)propan-2-one CAS Name: 1-(2,6-dimethyl-5-nitro-1-isoquinolin-2-iumyl)-2-propanone IUPAC Name: 1-(2,6-dimethyl-5-nitroisoquinolin-2-ium-1-yl)propan-2-one Traditional Name: 1-(2,6-dimethyl-5-nitro-isoquinolin-2-ium-1-yl)acetone Formula: C14H15N2O3+ MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N2O3/c1-9-4-5-11-12(14(9)16(18)19)6-7-15(3)13(11)8-10(2)17/h4-7H,8H2,1-3H3/q+1