2-azaniumylethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(phenylmethyl)azanium

Systemtic Name: 2-azaniumylethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(phenylmethyl)azanium Openeye Name: 2-azaniumylethyl-benzyl-[(3S)-1,1-dioxothiolan-3-yl]ammonium CAS Name: 2-ammonioethyl-[(3S)-1,1-dioxo-3-thiolanyl]-(phenylmethyl)ammonium IUPAC Name: 2-azaniumylethyl-benzyl-[(3S)-1,1-dioxothiolan-3-yl]azanium Traditional Name: 2-ammonioethyl-benzyl-[(3S)-1,1-diketothiolan-3-yl]ammonium Formula: C13H22N2O2S+2 MolecularWeight: 270.39098

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+](CC[NH3+])CC2=CC=CC=C2

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+](CC[NH3+])CC2=CC=CC=C2

InChI

InChI=1S/C13H20N2O2S/c14-7-8-15(10-12-4-2-1-3-5-12)13-6-9-18(16,17)11-13/h1-5,13H,6-11,14H2/p+2/t13-/m0/s1