methyl 3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-6-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-6-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C22H25N4O5+ MolecularWeight: 425.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

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