N-[(2R)-3-methyl-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-2-methyl-1-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[(2R)-3-methyl-1-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-2-methyl-1-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]propyl]thiophene-2-carboxamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O3S/c1-14(2)18(23-19(25)16-4-3-11-28-16)20(26)22-13-15-5-6-17(21-12-15)24-7-9-27-10-8-24/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,22,26)(H,23,25)/p+1/t18-/m1/s1