ethyl 3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-carbethoxypiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H29N4O5+ MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H28N4O5/c1-3-29-20(27)19-18(15-7-5-6-8-16(15)22-19)23-17(26)9-10-24-11-13-25(14-12-24)21(28)30-4-2/h5-8,22H,3-4,9-14H2,1-2H3,(H,23,26)/p+1