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

Systemtic Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-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)NCCC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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