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

Systemtic Name: ethyl 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-(4-cyclohexyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C25H37N4O4+ MolecularWeight: 457.58568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C25H36N4O4/c1-3-33-25(31)24-23(20-17-19(32-2)9-10-21(20)26-24)27-22(30)11-12-28-13-15-29(16-14-28)18-7-5-4-6-8-18/h9-10,17-18,26H,3-8,11-16H2,1-2H3,(H,27,30)/p+1