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

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C24H40N4O4S+2 MolecularWeight: 480.6638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C24H38N4O4S/c29-23(25-21-24(9-5-2-6-10-24)27-15-17-32-18-16-27)19-26-11-13-28(14-12-26)33(30,31)20-22-7-3-1-4-8-22/h1,3-4,7-8H,2,5-6,9-21H2,(H,25,29)/p+2