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

Systemtic Name: 6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indol-5-olate Openeye Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indol-5-olate CAS Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-2-(1-piperidin-1-iumylmethyl)-5-indololate IUPAC Name: 6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indol-5-olate Traditional Name: 6-bromo-3-carbethoxy-4-[(dimethylammonio)methyl]-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indol-5-olate Formula: C21H31BrN3O3+ MolecularWeight: 453.39314

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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+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C)C[NH+]3CCCCC3

InChI

InChI=1S/C21H30BrN3O3/c1-5-28-21(27)19-17(13-25-9-7-6-8-10-25)24(4)16-11-15(22)20(26)14(18(16)19)12-23(2)3/h11,26H,5-10,12-13H2,1-4H3/p+1