N-cyclohexyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-cyclohexyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-cyclohexyl-methanesulfonamide CAS Name: N-cyclohexyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-cyclohexyl-methanesulfonamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-27(25,26)23(19-10-6-3-7-11-19)17-20(24)22-14-12-21(13-15-22)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3/p+1