[4-(azaniumylmethyl)phenyl]methylsulfonyl-[2-(dimethylazaniumyl)ethyl]azanide

Systemtic Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-[2-(dimethylazaniumyl)ethyl]azanide Openeye Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-[2-(dimethylammonio)ethyl]azanide CAS Name: [4-(ammoniomethyl)phenyl]methylsulfonyl-[2-(dimethylammonio)ethyl]azanide IUPAC Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-[2-(dimethylazaniumyl)ethyl]azanide Traditional Name: [4-(ammoniomethyl)benzyl]sulfonyl-[2-(dimethylammonio)ethyl]azanide Formula: C12H22N3O2S+ MolecularWeight: 272.38698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[N-]S(=O)(=O)CC1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

C[NH+](C)CC[N-]S(=O)(=O)CC1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C12H20N3O2S/c1-15(2)8-7-14-18(16,17)10-12-5-3-11(9-13)4-6-12/h3-6H,7-10,13H2,1-2H3/q-1/p+2