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

Systemtic Name: [3-methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [3-methyl-1-(o-tolyl)thieno[2,3-c]pyrazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-methyl-1-(2-methylphenyl)-5-thieno[2,3-c]pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [3-methyl-1-(o-tolyl)thieno[2,3-c]pyrazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=C(S3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=C(S3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C(=N2)C

InChI

InChI=1S/C23H23N5OS/c1-16-7-3-4-8-19(16)28-23-18(17(2)25-28)15-20(30-23)22(29)27-13-11-26(12-14-27)21-9-5-6-10-24-21/h3-10,15H,11-14H2,1-2H3/p+1