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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+](CC[NH3+])C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+](CC[NH3+])[C@H]2CCS(=O)(=O)C2

InChI

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