ethyl 5-chloranyl-4-(4-methylphenyl)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-4-(4-methylphenyl)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-chloro-4-(4-methylphenyl)-2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-(4-methylphenyl)-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-4-28-21(27)18-17(15-7-5-14(2)6-8-15)19(22)29-20(18)23-16(26)13-25-11-9-24(3)10-12-25/h5-8H,4,9-13H2,1-3H3,(H,23,26)/p+1