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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(S)-4-morpholin-4-iumyl(pyridin-4-yl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]-2-thienyl]-2-furamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=NC=C2)[NH+]3CCOCC3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C21H23N3O3S/c1-14-15(2)28-21(23-20(25)17-4-3-11-27-17)18(14)19(16-5-7-22-8-6-16)24-9-12-26-13-10-24/h3-8,11,19H,9-10,12-13H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1