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

Systemtic Name: 3-methyl-1-(phenylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-benzyl-3-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-1-(phenylmethyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 1-benzyl-3-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-benzyl-3-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCC[NH+]3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCC[NH+]3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N4OS/c1-15-17-13-18(19(25)21-9-12-23-10-5-6-11-23)26-20(17)24(22-15)14-16-7-3-2-4-8-16/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,21,25)/p+1