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

Systemtic Name: methyl 3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C22H25N4O5+ MolecularWeight: 425.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC

InChI

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