6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1,2-dimethyl-indol-5-olate

Systemtic Name: 6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1,2-dimethyl-indol-5-olate Openeye Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1,2-dimethyl-indol-5-olate CAS Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1,2-dimethyl-5-indololate IUPAC Name: 6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1,2-dimethylindol-5-olate Traditional Name: 6-bromo-3-carbethoxy-4-[(dimethylammonio)methyl]-1,2-dimethyl-indol-5-olate Formula: C16H21BrN2O3 MolecularWeight: 369.25354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C)C

InChI

InChI=1S/C16H21BrN2O3/c1-6-22-16(21)13-9(2)19(5)12-7-11(17)15(20)10(14(12)13)8-18(3)4/h7,20H,6,8H2,1-5H3