N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-cyclohexyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C21H33N4O3S+ MolecularWeight: 421.57672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N([C@H]2CCS(=O)(=O)C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H32N4O3S/c26-21(16-23-11-13-24(14-12-23)20-8-4-5-10-22-20)25(18-6-2-1-3-7-18)19-9-15-29(27,28)17-19/h4-5,8,10,18-19H,1-3,6-7,9,11-17H2/p+1/t19-/m0/s1