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

Systemtic Name: methyl 3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-1,4-dimethyl-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethyl-indole-2-carboxylate CAS Name: 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1,4-dimethyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate Traditional Name: 3-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethyl-indole-2-carboxylic acid methyl ester Formula: C23H27N4O5+ MolecularWeight: 439.48428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5/c1-15-6-4-7-16-19(15)20(21(25(16)2)23(30)31-3)24-18(28)14-26-9-11-27(12-10-26)22(29)17-8-5-13-32-17/h4-8,13H,9-12,14H2,1-3H3,(H,24,28)/p+1