ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[3-(4-methyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CCN3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CCN3CC[NH+](CC3)C

InChI

InChI=1S/C23H31N3O3S/c1-5-29-23(28)21-19(18-7-6-16(2)17(3)14-18)15-30-22(21)24-20(27)8-9-26-12-10-25(4)11-13-26/h6-7,14-15H,5,8-13H2,1-4H3,(H,24,27)/p+1