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

Systemtic Name: ethyl 5-chloranyl-3-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[2-[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H27ClN3O4+ MolecularWeight: 408.89908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O4/c1-2-28-20(27)19-18(15-11-13(21)6-7-16(15)22-19)23-17(26)12-24-9-4-3-5-14(24)8-10-25/h6-7,11,14,22,25H,2-5,8-10,12H2,1H3,(H,23,26)/p+1/t14-/m1/s1