ethyl 2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H25N4O5S+ MolecularWeight: 433.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C20H24N4O5S/c1-3-29-20(26)18-16(14-4-6-15(7-5-14)24(27)28)13-30-19(18)21-17(25)12-23-10-8-22(2)9-11-23/h4-7,13H,3,8-12H2,1-2H3,(H,21,25)/p+1