4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitro-benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitrobenzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzamide Formula: C21H22N5O4S2+ MolecularWeight: 472.56048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S2/c1-14-13-31-21(24-14)32-18-4-3-16(10-17(18)26(28)29)20(27)23-12-15-2-5-19(22-11-15)25-6-8-30-9-7-25/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,27)/p+1