2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C26H35N4O3S+ MolecularWeight: 483.6461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C26H34N4O3S/c31-25(28-16-20-6-2-1-3-7-20)19-34-23-9-5-4-8-22(23)26(32)29-18-21-10-11-24(27-17-21)30-12-14-33-15-13-30/h4-5,8-11,17,20H,1-3,6-7,12-16,18-19H2,(H,28,31)(H,29,32)/p+1