methyl 2,4-dimethyl-5-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H22N4O3S/c1-11-14(16(23)24-3)12(2)19-15(11)13(22)10-20-5-7-21(8-6-20)17-18-4-9-25-17/h4,9,19H,5-8,10H2,1-3H3/p+1