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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-morpholin-4-yl-6-thiophen-3-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-morpholino-6-(3-thienyl)pyridin-1-ium-3-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-morpholinyl)-6-(3-thiophenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-morpholin-4-yl-6-thiophen-3-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-morpholino-6-(3-thienyl)pyridin-1-ium-3-carboxamide Formula: C18H22N3O4S2+ MolecularWeight: 408.51498

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=C([NH+]=C(C=C2)C3=CSC=C3)N4CCOCC4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C2=C([NH+]=C(C=C2)C3=CSC=C3)N4CCOCC4

InChI

InChI=1S/C18H21N3O4S2/c22-18(19-14-4-10-27(23,24)12-14)15-1-2-16(13-3-9-26-11-13)20-17(15)21-5-7-25-8-6-21/h1-3,9,11,14H,4-8,10,12H2,(H,19,22)/p+1/t14-/m0/s1