methyl 3-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester Formula: C21H30N3O6+ MolecularWeight: 420.4794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCCCC3CCO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCCC[C@@H]3CCO)OC

InChI

InChI=1S/C21H29N3O6/c1-28-16-10-14-15(11-17(16)29-2)22-20(21(27)30-3)19(14)23-18(26)12-24-8-5-4-6-13(24)7-9-25/h10-11,13,22,25H,4-9,12H2,1-3H3,(H,23,26)/p+1/t13-/m1/s1