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

Systemtic Name: methyl 5-bromanyl-3-[[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2R)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H28BrN4O4+ MolecularWeight: 516.40752

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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)C4=CC=CC=C4OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H27BrN4O4/c1-15(28-10-12-29(13-11-28)19-6-4-5-7-20(19)32-2)23(30)27-21-17-14-16(25)8-9-18(17)26-22(21)24(31)33-3/h4-9,14-15,26H,10-13H2,1-3H3,(H,27,30)/p+1/t15-/m1/s1