ethyl 3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5-ethoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5-ethoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CC(CC(C3)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3C[C@@H](C[C@H](C3)C)C)C(=O)OCC

InChI

InChI=1S/C22H31N3O4/c1-5-28-16-7-8-18-17(10-16)20(21(23-18)22(27)29-6-2)24-19(26)13-25-11-14(3)9-15(4)12-25/h7-8,10,14-15,23H,5-6,9,11-13H2,1-4H3,(H,24,26)/p+1/t14-,15-/m1/s1