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

Systemtic Name: methyl 5-bromanyl-3-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2R)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H26BrN4O3+ MolecularWeight: 486.38154

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O3/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/h3-9,14-15,25H,10-13H2,1-2H3,(H,26,29)/p+1/t15-/m1/s1