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

Systemtic Name: ethyl 6-bromanyl-5-oxidanyl-1-(phenylmethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-(phenylmethyl)-2-(1-pyrrolidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-5-hydroxy-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)O)Br)CC3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H25BrN2O3/c1-2-29-23(28)22-17-12-21(27)18(24)13-19(17)26(14-16-8-4-3-5-9-16)20(22)15-25-10-6-7-11-25/h3-5,8-9,12-13,27H,2,6-7,10-11,14-15H2,1H3/p+1