ethyl 2,4-dimethyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-yl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-yl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H24N4O2S/c1-5-23-16(22)14-11(2)15(18-12(14)3)13-10-24-17(19-13)21-8-6-20(4)7-9-21/h10,18H,5-9H2,1-4H3/p+1