ethyl 3-[[(2R)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[(2R)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2R)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[(2R)-2-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2R)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[(2R)-2-(4-carbethoxypiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C23H32N3O6+ MolecularWeight: 446.51668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=C(NC3=C2C=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(NC3=C2C=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C23H31N3O6/c1-5-31-22(28)15-9-11-26(12-10-15)14(3)21(27)25-19-17-13-16(30-4)7-8-18(17)24-20(19)23(29)32-6-2/h7-8,13-15,24H,5-6,9-12H2,1-4H3,(H,25,27)/p+1/t14-/m1/s1