ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C20H26BrN2O4+ MolecularWeight: 438.33544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C[NH+]3CCCCC3

InChI

InChI=1S/C20H25BrN2O4/c1-4-26-20(25)19-14-10-18(27-13(2)24)15(21)11-16(14)22(3)17(19)12-23-8-6-5-7-9-23/h10-11H,4-9,12H2,1-3H3/p+1