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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopentyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-cyclopentyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(C1)N([C@H]2CCS(=O)(=O)C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H30N4O3S/c25-20(15-22-10-12-23(13-11-22)19-7-3-4-9-21-19)24(17-5-1-2-6-17)18-8-14-28(26,27)16-18/h3-4,7,9,17-18H,1-2,5-6,8,10-16H2/p+1/t18-/m0/s1