1-(3-chlorophenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazole-4-carboximidate

Systemtic Name: 1-(3-chlorophenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazole-4-carboximidate Openeye Name: 1-(3-chlorophenyl)-5-isopropyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]pyrazole-4-carboximidate CAS Name: 1-(3-chlorophenyl)-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-5-propan-2-yl-4-pyrazolecarboximidate IUPAC Name: 1-(3-chlorophenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carboximidate Traditional Name: 1-(3-chlorophenyl)-5-isopropyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]pyrazole-4-carboximidate Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=NC3=NC(=CS3)C[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=NC3=NC(=CS3)C[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C21H24ClN5O2S/c1-14(2)19-18(11-23-27(19)17-5-3-4-15(22)10-17)20(28)25-21-24-16(13-30-21)12-26-6-8-29-9-7-26/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,24,25,28)