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

Systemtic Name: methyl 5-bromanyl-3-[[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2R)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H25BrFN4O3+ MolecularWeight: 504.372003

Click to see the large picture

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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrFN4O3/c1-14(28-9-11-29(12-10-28)17-6-4-16(25)5-7-17)22(30)27-20-18-13-15(24)3-8-19(18)26-21(20)23(31)32-2/h3-8,13-14,26H,9-12H2,1-2H3,(H,27,30)/p+1/t14-/m1/s1