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

Systemtic Name: N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-(phenylmethyl)methanesulfonamide Openeye Name: N-benzyl-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-N-(phenylmethyl)methanesulfonamide IUPAC Name: N-benzyl-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide Traditional Name: N-benzyl-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]methanesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-28(26,27)24(17-20-10-6-3-7-11-20)18-21(25)23-14-12-22(13-15-23)16-19-8-4-2-5-9-19/h2-11H,12-18H2,1H3/p+1