3-methyl-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 3-methyl-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(p-tolylmethyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-1-[(4-methylphenyl)methyl]-N-(4-methyl-1-piperazin-4-iumyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-methyl-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 3-methyl-1-(4-methylbenzyl)-N-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C20H26N5OS+ MolecularWeight: 384.51834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)NN4CC[NH+](CC4)C)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)NN4CC[NH+](CC4)C)C(=N2)C

InChI

InChI=1S/C20H25N5OS/c1-14-4-6-16(7-5-14)13-25-20-17(15(2)21-25)12-18(27-20)19(26)22-24-10-8-23(3)9-11-24/h4-7,12H,8-11,13H2,1-3H3,(H,22,26)/p+1