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

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H31N3O3S+2 MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-5-28-22(27)20-18(17-7-6-15(2)16(3)12-17)14-29-21(20)23-19(26)13-25-10-8-24(4)9-11-25/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,26)/p+2