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

Systemtic Name: 3,3-dimethyl-1-oxidanidyl-2-oxidanyl-9-phenethyloxy-2H-benzo[g]indol-1-ium-5-one Openeye Name: 2-hydroxy-3,3-dimethyl-1-oxido-9-phenethyloxy-2H-benzo[g]indol-1-ium-5-one CAS Name: 2-hydroxy-3,3-dimethyl-1-oxido-9-phenethyloxy-2H-benzo[g]indol-1-ium-5-one IUPAC Name: 2-hydroxy-3,3-dimethyl-1-oxido-9-phenethyloxy-2H-benzo[g]indol-1-ium-5-one Traditional Name: 2-hydroxy-3,3-dimethyl-1-oxido-9-phenethyloxy-2H-benz[g]indol-1-ium-5-one Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+](=C2C1=CC(=O)C3=C2C(=CC=C3)OCCC4=CC=CC=C4)[O-])O)C

Isomeric SMILES

CC1(C([N+](=C2C1=CC(=O)C3=C2C(=CC=C3)OCCC4=CC=CC=C4)[O-])O)C

InChI

InChI=1S/C22H21NO4/c1-22(2)16-13-17(24)15-9-6-10-18(19(15)20(16)23(26)21(22)25)27-12-11-14-7-4-3-5-8-14/h3-10,13,21,25H,11-12H2,1-2H3