ethyl 5-ethoxy-3-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-ethoxy-3-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-ethoxy-3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-ethoxy-3-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethoxy-3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-ethoxy-3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)OCC)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)OCC)C(=O)OCC

InChI

InChI=1S/C21H30N4O4/c1-4-24-9-11-25(12-10-24)14-18(26)23-19-16-13-15(28-5-2)7-8-17(16)22-20(19)21(27)29-6-3/h7-8,13,22H,4-6,9-12,14H2,1-3H3,(H,23,26)/p+1