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

Systemtic Name: [3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (1-isobutyl-3-methyl-thieno[2,3-c]pyrazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-methyl-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazol-5-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (1-isobutyl-3-methyl-thieno[2,3-c]pyrazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)CC(C)C

InChI

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