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

Systemtic Name: methyl 5-bromanyl-3-[[(2R)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2R)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2R)-2-(4-cyclohexyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2R)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2R)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H32BrN4O3+ MolecularWeight: 492.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)[NH+]3CCN(CC3)C4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)[NH+]3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C23H31BrN4O3/c1-15(27-10-12-28(13-11-27)17-6-4-3-5-7-17)22(29)26-20-18-14-16(24)8-9-19(18)25-21(20)23(30)31-2/h8-9,14-15,17,25H,3-7,10-13H2,1-2H3,(H,26,29)/p+1/t15-/m1/s1