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

Systemtic Name: 3-methyl-1-(phenylmethyl)-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-benzyl-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-1-(phenylmethyl)-N-[3-(1-piperidin-1-iumyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 1-benzyl-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-benzyl-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCCC[NH+]3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCCC[NH+]3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4OS/c1-17-19-15-20(21(27)23-11-8-14-25-12-6-3-7-13-25)28-22(19)26(24-17)16-18-9-4-2-5-10-18/h2,4-5,9-10,15H,3,6-8,11-14,16H2,1H3,(H,23,27)/p+1