5-chloranyl-3-methyl-1-(2-methylpropyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboximidate

Systemtic Name: 5-chloranyl-3-methyl-1-(2-methylpropyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboximidate Openeye Name: 5-chloro-1-isobutyl-3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]pyrazole-4-carboximidate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-4-pyrazolecarboximidate IUPAC Name: 5-chloro-3-methyl-1-(2-methylpropyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboximidate Traditional Name: 5-chloro-1-isobutyl-3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]pyrazole-4-carboximidate Formula: C17H24ClN5O2S MolecularWeight: 397.92276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=NC2=NC(=CS2)C[NH+]3CCOCC3)[O-])Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=NC2=NC(=CS2)C[NH+]3CCOCC3)[O-])Cl)CC(C)C

InChI

InChI=1S/C17H24ClN5O2S/c1-11(2)8-23-15(18)14(12(3)21-23)16(24)20-17-19-13(10-26-17)9-22-4-6-25-7-5-22/h10-11H,4-9H2,1-3H3,(H,19,20,24)