N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1-morpholinocyclohexyl)methyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1-morpholinocyclohexyl)methyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C25H39N4O4S+ MolecularWeight: 491.66656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H38N4O4S/c30-24(26-22-25(10-5-2-6-11-25)28-16-18-33-19-17-28)21-27-12-14-29(15-13-27)34(31,32)20-9-23-7-3-1-4-8-23/h1,3-4,7-9,20H,2,5-6,10-19,21-22H2,(H,26,30)/p+1/b20-9+