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

Systemtic Name: 6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-(morpholin-4-ylmethyl)indol-5-olate Openeye Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-2-(morpholinomethyl)indol-5-olate CAS Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-2-(4-morpholinylmethyl)-5-indololate IUPAC Name: 6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-(morpholin-4-ylmethyl)indol-5-olate Traditional Name: 6-bromo-3-carbethoxy-4-[(dimethylammonio)methyl]-1-methyl-2-(morpholinomethyl)indol-5-olate Formula: C20H28BrN3O4 MolecularWeight: 454.35802

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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)CN3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C)CN3CCOCC3

InChI

InChI=1S/C20H28BrN3O4/c1-5-28-20(26)18-16(12-24-6-8-27-9-7-24)23(4)15-10-14(21)19(25)13(17(15)18)11-22(2)3/h10,25H,5-9,11-12H2,1-4H3