N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboximidate

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboximidate Openeye Name: 1-benzyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-3-(3-pyridyl)pyrazole-4-carboximidate CAS Name: N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboximidate IUPAC Name: 1-benzyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboximidate Traditional Name: 1-benzyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-3-(3-pyridyl)pyrazole-4-carboximidate Formula: C24H24N6O2S MolecularWeight: 460.55136

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)N=C(C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)N=C(C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C24H24N6O2S/c31-23(27-24-26-20(17-33-24)15-29-9-11-32-12-10-29)21-16-30(14-18-5-2-1-3-6-18)28-22(21)19-7-4-8-25-13-19/h1-8,13,16-17H,9-12,14-15H2,(H,26,27,31)