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

Systemtic Name: 3-methyl-1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(p-tolylmethyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-1-[(4-methylphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-methyl-1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 3-methyl-1-(4-methylbenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)NCCC[NH+]4CCOCC4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)NCCC[NH+]4CCOCC4)C(=N2)C

InChI

InChI=1S/C22H28N4O2S/c1-16-4-6-18(7-5-16)15-26-22-19(17(2)24-26)14-20(29-22)21(27)23-8-3-9-25-10-12-28-13-11-25/h4-7,14H,3,8-13,15H2,1-2H3,(H,23,27)/p+1