ethyl 5,6-dimethoxy-3-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5,6-dimethoxy-3-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5,6-dimethoxy-3-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[3-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5,6-dimethoxy-3-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5,6-dimethoxy-3-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C22H32N3O5+ MolecularWeight: 418.50658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCC[C@H](C3)C

InChI

InChI=1S/C22H31N3O5/c1-5-30-22(27)21-20(15-11-17(28-3)18(29-4)12-16(15)23-21)24-19(26)8-10-25-9-6-7-14(2)13-25/h11-12,14,23H,5-10,13H2,1-4H3,(H,24,26)/p+1/t14-/m1/s1