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

Systemtic Name: (4-aminocarbonylphenyl)methyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]azanium Openeye Name: (4-carbamoylphenyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]ammonium CAS Name: (4-carbamoylphenyl)methyl-[(3S)-1,1-dioxo-3-thiolanyl]ammonium IUPAC Name: (4-carbamoylphenyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]azanium Traditional Name: (4-carbamoylbenzyl)-[(3S)-1,1-diketothiolan-3-yl]ammonium Formula: C12H17N2O3S+ MolecularWeight: 269.33998

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH2+]CC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH2+]CC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C12H16N2O3S/c13-12(15)10-3-1-9(2-4-10)7-14-11-5-6-18(16,17)8-11/h1-4,11,14H,5-8H2,(H2,13,15)/p+1/t11-/m0/s1