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

Systemtic Name: 5-methyl-1-(3-methylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboximidate Openeye Name: 5-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-1-(m-tolyl)pyrazole-4-carboximidate CAS Name: 5-methyl-1-(3-methylphenyl)-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-4-pyrazolecarboximidate IUPAC Name: 5-methyl-1-(3-methylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboximidate Traditional Name: 5-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-1-(m-tolyl)pyrazole-4-carboximidate Formula: C20H23N5O2S MolecularWeight: 397.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=NC3=NC(=CS3)C[NH+]4CCOCC4)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=NC3=NC(=CS3)C[NH+]4CCOCC4)[O-])C

InChI

InChI=1S/C20H23N5O2S/c1-14-4-3-5-17(10-14)25-15(2)18(11-21-25)19(26)23-20-22-16(13-28-20)12-24-6-8-27-9-7-24/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,22,23,26)