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

Systemtic Name: 6-bromanyl-2,4-bis[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-indol-5-olate Openeye Name: 6-bromo-2,4-bis[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-indol-5-olate CAS Name: 6-bromo-2,4-bis[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-5-indololate IUPAC Name: 6-bromo-2,4-bis[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methylindol-5-olate Traditional Name: 6-bromo-3-carbethoxy-2,4-bis[(dimethylammonio)methyl]-1-methyl-indol-5-olate Formula: C18H27BrN3O3+ MolecularWeight: 413.32928

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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[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3O3/c1-7-25-18(24)16-14(10-21(4)5)22(6)13-8-12(19)17(23)11(15(13)16)9-20(2)3/h8,23H,7,9-10H2,1-6H3/p+1