N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-2-yl-pyridine-3-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-2-yl-pyridine-3-carboxamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-6-(2-thienyl)pyridine-3-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-methyl-1-piperazin-4-iumyl)-6-thiophen-2-yl-3-pyridinecarboxamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-2-ylpyridine-3-carboxamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-6-(2-thienyl)nicotinamide Formula: C19H25N4O3S2+ MolecularWeight: 421.5568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=CC=CS3)C(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=CC=CS3)C(=O)N[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C19H24N4O3S2/c1-22-7-9-23(10-8-22)18-15(4-5-16(21-18)17-3-2-11-27-17)19(24)20-14-6-12-28(25,26)13-14/h2-5,11,14H,6-10,12-13H2,1H3,(H,20,24)/p+1/t14-/m0/s1