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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopentyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-cyclopentyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-cyclopentyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c25-21(16-22-11-13-23(14-12-22)18-6-2-1-3-7-18)24(19-8-4-5-9-19)20-10-15-28(26,27)17-20/h1-3,6-7,19-20H,4-5,8-17H2/p+1/t20-/m0/s1