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

Systemtic Name: methyl 5-chloranyl-3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[3-(4-cyclohexyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H32ClN4O3+ MolecularWeight: 447.97818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN4O3/c1-31-23(30)22-21(18-15-16(24)7-8-19(18)25-22)26-20(29)9-10-27-11-13-28(14-12-27)17-5-3-2-4-6-17/h7-8,15,17,25H,2-6,9-14H2,1H3,(H,26,29)/p+1