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

Systemtic Name: ethyl 3-[2-(4-cyclohexylpiperazin-1-ium-1-yl)ethanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-cyclohexyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C24H35N4O4+ MolecularWeight: 443.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C24H34N4O4/c1-3-32-24(30)23-22(19-15-18(31-2)9-10-20(19)25-23)26-21(29)16-27-11-13-28(14-12-27)17-7-5-4-6-8-17/h9-10,15,17,25H,3-8,11-14,16H2,1-2H3,(H,26,29)/p+1