2-azaniumylethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-ethylphenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-ethylphenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(3S)-1,1-dioxothiolan-3-yl]-[(4-ethylphenyl)methyl]ammonium CAS Name: 2-ammonioethyl-[(3S)-1,1-dioxo-3-thiolanyl]-[(4-ethylphenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(3S)-1,1-dioxothiolan-3-yl]-[(4-ethylphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-[(3S)-1,1-diketothiolan-3-yl]-(4-ethylbenzyl)ammonium Formula: C15H26N2O2S+2 MolecularWeight: 298.44414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](CC[NH3+])C2CCS(=O)(=O)C2

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](CC[NH3+])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C15H24N2O2S/c1-2-13-3-5-14(6-4-13)11-17(9-8-16)15-7-10-20(18,19)12-15/h3-6,15H,2,7-12,16H2,1H3/p+2/t15-/m0/s1