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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CC(CC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C22H31N3O4/c1-5-29-22(27)21-20(17-11-16(28-4)6-7-18(17)23-21)24-19(26)8-9-25-12-14(2)10-15(3)13-25/h6-7,11,14-15,23H,5,8-10,12-13H2,1-4H3,(H,24,26)/p+1/t14-,15-/m1/s1