6-bromanyl-7-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-1-phenyl-indol-4-olate

Systemtic Name: 6-bromanyl-7-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-1-phenyl-indol-4-olate Openeye Name: 6-bromo-7-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-1-phenyl-indol-4-olate CAS Name: 6-bromo-7-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-1-phenyl-4-indololate IUPAC Name: 6-bromo-7-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-1-phenylindol-4-olate Traditional Name: 6-bromo-3-carbethoxy-7-[(dimethylammonio)methyl]-5-methoxy-2-methyl-1-phenyl-indol-4-olate Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2C[NH+](C)C)Br)OC)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2C[NH+](C)C)Br)OC)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C22H25BrN2O4/c1-6-29-22(27)16-13(2)25(14-10-8-7-9-11-14)19-15(12-24(3)4)18(23)21(28-5)20(26)17(16)19/h7-11,26H,6,12H2,1-5H3