1H-benzimidazol-2-ylmethyl-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethyl]-methyl-azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethyl]-methyl-azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[2-[(3S)-1,1-dioxothiolan-3-yl]ethyl]-methyl-ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[2-[(3S)-1,1-dioxo-3-thiolanyl]ethyl]-methylammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[2-[(3S)-1,1-dioxothiolan-3-yl]ethyl]-methylazanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[2-[(3S)-1,1-diketothiolan-3-yl]ethyl]-methyl-ammonium Formula: C15H22N3O2S+ MolecularWeight: 308.41908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1CCS(=O)(=O)C1)CC2=NC3=CC=CC=C3N2

Isomeric SMILES

C[NH+](CC[C@H]1CCS(=O)(=O)C1)CC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H21N3O2S/c1-18(8-6-12-7-9-21(19,20)11-12)10-15-16-13-4-2-3-5-14(13)17-15/h2-5,12H,6-11H2,1H3,(H,16,17)/p+1/t12-/m0/s1