ethyl 6-bromanyl-5-oxidanyl-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-oxidanyl-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C22H24BrN2O3+ MolecularWeight: 444.34156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O3/c1-2-28-22(27)21-16-12-20(26)17(23)13-18(16)25(15-8-4-3-5-9-15)19(21)14-24-10-6-7-11-24/h3-5,8-9,12-13,26H,2,6-7,10-11,14H2,1H3/p+1