3,3-dimethyl-9-(2-methylpropoxy)-1-oxidanidyl-2-oxidanyl-2H-benzo[g]indol-1-ium-5-one

Systemtic Name: 3,3-dimethyl-9-(2-methylpropoxy)-1-oxidanidyl-2-oxidanyl-2H-benzo[g]indol-1-ium-5-one Openeye Name: 2-hydroxy-9-isobutoxy-3,3-dimethyl-1-oxido-2H-benzo[g]indol-1-ium-5-one CAS Name: 2-hydroxy-3,3-dimethyl-9-(2-methylpropoxy)-1-oxido-2H-benzo[g]indol-1-ium-5-one IUPAC Name: 2-hydroxy-3,3-dimethyl-9-(2-methylpropoxy)-1-oxido-2H-benzo[g]indol-1-ium-5-one Traditional Name: 2-hydroxy-9-isobutoxy-3,3-dimethyl-1-oxido-2H-benz[g]indol-1-ium-5-one Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC2=C1C3=[N+](C(C(C3=CC2=O)(C)C)O)[O-]

Isomeric SMILES

CC(C)COC1=CC=CC2=C1C3=[N+](C(C(C3=CC2=O)(C)C)O)[O-]

InChI

InChI=1S/C18H21NO4/c1-10(2)9-23-14-7-5-6-11-13(20)8-12-16(15(11)14)19(22)17(21)18(12,3)4/h5-8,10,17,21H,9H2,1-4H3