3-methyl-1-(2-methylpropyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 3-methyl-1-(2-methylpropyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-isobutyl-3-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-1-(2-methylpropyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-methyl-1-(2-methylpropyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-isobutyl-3-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thieno[2,3-c]pyrazole-5-carboxamide Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4)CC(C)C

InChI

InChI=1S/C22H34N4O2S/c1-16(2)14-26-21-18(17(3)24-26)13-19(29-21)20(27)23-15-22(7-5-4-6-8-22)25-9-11-28-12-10-25/h13,16H,4-12,14-15H2,1-3H3,(H,23,27)/p+1