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

Systemtic Name: methyl 3-[[(2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 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 3-[[(2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[(2R)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H25N4O5+ MolecularWeight: 425.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@H](C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H24N4O5/c1-14(25-9-11-26(12-10-25)21(28)17-8-5-13-31-17)20(27)24-18-15-6-3-4-7-16(15)23-19(18)22(29)30-2/h3-8,13-14,23H,9-12H2,1-2H3,(H,24,27)/p+1/t14-/m1/s1