N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-isoquinolin-2-ium-2-yl-acetamide Formula: C15H17N2O3S+ MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C15H16N2O3S/c18-15(16-14-6-8-21(19,20)11-14)10-17-7-5-12-3-1-2-4-13(12)9-17/h1-5,7,9,14H,6,8,10-11H2/p+1/t14-/m0/s1