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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C23H26BrN2O3+ MolecularWeight: 458.36814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O3/c1-3-29-23(27)22-17-13-21(28-2)18(24)14-19(17)26(16-9-5-4-6-10-16)20(22)15-25-11-7-8-12-25/h4-6,9-10,13-14H,3,7-8,11-12,15H2,1-2H3/p+1