ethyl 4-ethanoyl-5-methyl-2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O5/c1-5-30-23(29)21-20(16(3)27)17(4)31-22(21)24-19(28)14-25-10-12-26(13-11-25)18-9-7-6-8-15(18)2/h6-9H,5,10-14H2,1-4H3,(H,24,28)/p+1