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

Systemtic Name: methyl 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-(4-cyclohexyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CCN3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CCN3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C23H32N4O3/c1-30-23(29)22-21(18-9-5-6-10-19(18)24-22)25-20(28)11-12-26-13-15-27(16-14-26)17-7-3-2-4-8-17/h5-6,9-10,17,24H,2-4,7-8,11-16H2,1H3,(H,25,28)/p+1