ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]indole-3-carboxylic acid ethyl ester Formula: C21H28BrN2O4+ MolecularWeight: 452.36202

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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+]3CCCCC3C

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O4/c1-5-27-21(26)20-15-10-19(28-14(3)25)16(22)11-17(15)23(4)18(20)12-24-9-7-6-8-13(24)2/h10-11,13H,5-9,12H2,1-4H3/p+1/t13-/m0/s1