ethyl 4-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 4-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 4-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C25H31N4O6+ MolecularWeight: 483.53684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C)C

InChI

InChI=1S/C25H30N4O6/c1-5-34-25(32)21-16(2)27(3)17-8-9-18(33-4)23(22(17)21)26-20(30)15-28-10-12-29(13-11-28)24(31)19-7-6-14-35-19/h6-9,14H,5,10-13,15H2,1-4H3,(H,26,30)/p+1