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

Systemtic Name: 2-azaniumylethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2-methylphenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(3S)-1,1-dioxothiolan-3-yl]-(o-tolylmethyl)ammonium CAS Name: 2-ammonioethyl-[(3S)-1,1-dioxo-3-thiolanyl]-[(2-methylphenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(3S)-1,1-dioxothiolan-3-yl]-[(2-methylphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-[(3S)-1,1-diketothiolan-3-yl]-(2-methylbenzyl)ammonium Formula: C14H24N2O2S+2 MolecularWeight: 284.41756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC[NH3+])C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC[NH3+])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C14H22N2O2S/c1-12-4-2-3-5-13(12)10-16(8-7-15)14-6-9-19(17,18)11-14/h2-5,14H,6-11,15H2,1H3/p+2/t14-/m0/s1