(N,N-dimethylcarbamimidoyl)-dimethyl-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]sulfonyl-azanium

Systemtic Name: (N,N-dimethylcarbamimidoyl)-dimethyl-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]sulfonyl-azanium Openeye Name: (2-benzyl-3-hydroxy-3-oxo-propyl)sulfonyl-(N,N-dimethylcarbamimidoyl)-dimethyl-ammonium CAS Name: [dimethylamino(imino)methyl]-[3-hydroxy-3-oxo-2-(phenylmethyl)propyl]sulfonyl-dimethylammonium IUPAC Name: (2-benzyl-3-hydroxy-3-oxopropyl)sulfonyl-(N,N-dimethylcarbamimidoyl)-dimethylazanium Traditional Name: (2-benzyl-3-hydroxy-3-keto-propyl)sulfonyl-(N,N-dimethylamidino)-dimethyl-ammonium Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)[N+](C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CN(C)C(=N)[N+](C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H23N3O4S/c1-17(2)15(16)18(3,4)23(21,22)11-13(14(19)20)10-12-8-6-5-7-9-12/h5-9,13,16H,10-11H2,1-4H3/p+1