methyl 5-bromanyl-3-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H25BrN3O4+ MolecularWeight: 439.3235

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCCCC3CCO

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCCC[C@@H]3CCO

InChI

InChI=1S/C19H24BrN3O4/c1-27-19(26)18-17(14-10-12(20)5-6-15(14)21-18)22-16(25)11-23-8-3-2-4-13(23)7-9-24/h5-6,10,13,21,24H,2-4,7-9,11H2,1H3,(H,22,25)/p+1/t13-/m1/s1