methyl 4-chloranyl-3-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H25ClN3O4+ MolecularWeight: 394.8725

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)C[NH+]3CCCCC3CCO

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)C[NH+]3CCCC[C@@H]3CCO

InChI

InChI=1S/C19H24ClN3O4/c1-27-19(26)18-17(16-13(20)6-4-7-14(16)21-18)22-15(25)11-23-9-3-2-5-12(23)8-10-24/h4,6-7,12,21,24H,2-3,5,8-11H2,1H3,(H,22,25)/p+1/t12-/m1/s1