N-[4,5-dimethyl-3-[morpholin-4-ium-4-yl(pyridin-1-ium-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-[morpholin-4-ium-4-yl(pyridin-1-ium-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[morpholin-4-ium-4-yl(pyridin-1-ium-3-yl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[4-morpholin-4-iumyl(3-pyridin-1-iumyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[morpholin-4-ium-4-yl(pyridin-1-ium-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[morpholin-4-ium-4-yl(pyridin-1-ium-3-yl)methyl]-2-thienyl]-2-furamide Formula: C21H25N3O3S+2 MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=C[NH+]=CC=C2)[NH+]3CCOCC3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(SC(=C1C(C2=C[NH+]=CC=C2)[NH+]3CCOCC3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C21H23N3O3S/c1-14-15(2)28-21(23-20(25)17-6-4-10-27-17)18(14)19(16-5-3-7-22-13-16)24-8-11-26-12-9-24/h3-7,10,13,19H,8-9,11-12H2,1-2H3,(H,23,25)/p+2