[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-(2-quinolyl)methanone CAS Name: [4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-(2-quinolinyl)methanone IUPAC Name: [4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]-(2-quinolyl)methanone Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H21N3O3S/c22-18(17-6-5-14-3-1-2-4-16(14)19-17)21-10-8-20(9-11-21)15-7-12-25(23,24)13-15/h1-6,15H,7-13H2/p+1/t15-/m0/s1