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

Systemtic Name: methyl 3-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCCCC3CCO)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCCC[C@@H]3CCO)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-13-6-7-16-15(11-13)18(19(21-16)20(26)27-2)22-17(25)12-23-9-4-3-5-14(23)8-10-24/h6-7,11,14,21,24H,3-5,8-10,12H2,1-2H3,(H,22,25)/p+1/t14-/m1/s1