(4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazol-5-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazol-5-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(o-tolyl)thieno[2,3-c]pyrazol-5-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-methyl-1-(2-methylphenyl)-5-thieno[2,3-c]pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazol-5-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(o-tolyl)thieno[2,3-c]pyrazol-5-yl]methanone Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4C

InChI

InChI=1S/C20H24N4OS/c1-4-22-9-11-23(12-10-22)19(25)18-13-16-15(3)21-24(20(16)26-18)17-8-6-5-7-14(17)2/h5-8,13H,4,9-12H2,1-3H3/p+1