ethyl 5-(4-chlorophenyl)-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-3-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H26ClN3O3S+2 MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H24ClN3O3S/c1-3-27-20(26)19-16(12-17(28-19)14-4-6-15(21)7-5-14)22-18(25)13-24-10-8-23(2)9-11-24/h4-7,12H,3,8-11,13H2,1-2H3,(H,22,25)/p+2