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

Systemtic Name: methyl 5-bromanyl-3-[[(2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2R)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2R)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H24BrN4O5+ MolecularWeight: 504.35376

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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)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@H](C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H23BrN4O5/c1-13(26-7-9-27(10-8-26)21(29)17-4-3-11-32-17)20(28)25-18-15-12-14(23)5-6-16(15)24-19(18)22(30)31-2/h3-6,11-13,24H,7-10H2,1-2H3,(H,25,28)/p+1/t13-/m1/s1