methyl 2,4-dimethyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]amino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]-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)NC2=NC(=CS2)C[NH+]3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=NC(=CS2)C[NH+]3CCCC3

InChI

InChI=1S/C17H22N4O3S/c1-10-13(16(23)24-3)11(2)18-14(10)15(22)20-17-19-12(9-25-17)8-21-6-4-5-7-21/h9,18H,4-8H2,1-3H3,(H,19,20,22)/p+1