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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-cyclopropyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-cyclopropyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H26N5O3S+ MolecularWeight: 380.48504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3S/c23-16(22(14-2-3-14)15-4-11-26(24,25)13-15)12-20-7-9-21(10-8-20)17-18-5-1-6-19-17/h1,5-6,14-15H,2-4,7-13H2/p+1/t15-/m0/s1