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

Systemtic Name: 3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-benzyl-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 1-benzyl-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-benzyl-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCC[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCC[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N4O2S/c1-15-17-13-18(19(25)21-7-8-23-9-11-26-12-10-23)27-20(17)24(22-15)14-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,21,25)/p+1