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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopropyl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-cyclopropyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C2CCS(=O)(=O)C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(C2CC2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C18H26N4O3S/c23-18(22(15-4-5-15)16-6-12-26(24,25)14-16)13-20-8-10-21(11-9-20)17-3-1-2-7-19-17/h1-3,7,15-16H,4-6,8-14H2/p+1/t16-/m0/s1