N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1-morpholinocyclohexyl)methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1-morpholinocyclohexyl)methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H35N4O4S2+ MolecularWeight: 471.657

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)N4CCOCC4

InChI

InChI=1S/C21H34N4O4S2/c26-19(22-18-21(6-2-1-3-7-21)24-12-14-29-15-13-24)17-23-8-10-25(11-9-23)31(27,28)20-5-4-16-30-20/h4-5,16H,1-3,6-15,17-18H2,(H,22,26)/p+1