3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 3-morpholinosulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 3-(4-morpholinylsulfonyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 3-morpholinosulfonyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(C=CS3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(C=CS3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H29N3O4S2/c26-22(21-20(8-15-30-21)31(27,28)25-11-13-29-14-12-25)23-16-18-4-6-19(7-5-18)17-24-9-2-1-3-10-24/h4-8,15H,1-3,9-14,16-17H2,(H,23,26)/p+1