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

Systemtic Name: 6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indol-5-olate Openeye Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indol-5-olate CAS Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-5-indololate IUPAC Name: 6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indol-5-olate Traditional Name: 6-bromo-3-carbethoxy-4-[(dimethylammonio)methyl]-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indol-5-olate Formula: C25H31BrN3O3+ MolecularWeight: 501.43594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C25H30BrN3O3/c1-4-32-25(31)23-21(16-28-12-8-9-13-28)29(17-10-6-5-7-11-17)20-14-19(26)24(30)18(22(20)23)15-27(2)3/h5-7,10-11,14,30H,4,8-9,12-13,15-16H2,1-3H3/p+1