ethyl 6-bromanyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-(4-morpholin-4-iumylmethyl)-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C23H26BrN2O4+ MolecularWeight: 474.36754

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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+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C23H25BrN2O4/c1-2-30-23(28)22-17-12-21(27)18(24)13-19(17)26(14-16-6-4-3-5-7-16)20(22)15-25-8-10-29-11-9-25/h3-7,12-13,27H,2,8-11,14-15H2,1H3/p+1