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

Systemtic Name: ethyl 3-[[(2R)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2R)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[(2R)-2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2R)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[(2R)-2-(4-carbethoxypiperazin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C22H31N4O6+ MolecularWeight: 447.50474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)[C@@H](C)[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H30N4O6/c1-5-31-21(28)19-18(16-13-15(30-4)7-8-17(16)23-19)24-20(27)14(3)25-9-11-26(12-10-25)22(29)32-6-2/h7-8,13-14,23H,5-6,9-12H2,1-4H3,(H,24,27)/p+1/t14-/m1/s1