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

Systemtic Name: methyl 5-bromanyl-3-[2-(4-cyclohexylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(4-cyclohexyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H30BrN4O3+ MolecularWeight: 478.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN4O3/c1-30-22(29)21-20(17-13-15(23)7-8-18(17)24-21)25-19(28)14-26-9-11-27(12-10-26)16-5-3-2-4-6-16/h7-8,13,16,24H,2-6,9-12,14H2,1H3,(H,25,28)/p+1