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

Systemtic Name: 3,3-dimethyl-1-oxidanidyl-2-oxidanyl-9-phenylmethoxy-2H-benzo[g]indol-1-ium-5-one Openeye Name: 9-benzyloxy-2-hydroxy-3,3-dimethyl-1-oxido-2H-benzo[g]indol-1-ium-5-one CAS Name: 2-hydroxy-3,3-dimethyl-1-oxido-9-phenylmethoxy-2H-benzo[g]indol-1-ium-5-one IUPAC Name: 2-hydroxy-3,3-dimethyl-1-oxido-9-phenylmethoxy-2H-benzo[g]indol-1-ium-5-one Traditional Name: 9-benzoxy-2-hydroxy-3,3-dimethyl-1-oxido-2H-benz[g]indol-1-ium-5-one Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+](=C2C1=CC(=O)C3=C2C(=CC=C3)OCC4=CC=CC=C4)[O-])O)C

Isomeric SMILES

CC1(C([N+](=C2C1=CC(=O)C3=C2C(=CC=C3)OCC4=CC=CC=C4)[O-])O)C

InChI

InChI=1S/C21H19NO4/c1-21(2)15-11-16(23)14-9-6-10-17(18(14)19(15)22(25)20(21)24)26-12-13-7-4-3-5-8-13/h3-11,20,24H,12H2,1-2H3