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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-pyridin-3-yl(pyrrolidin-1-ium-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(S)-3-pyridyl(pyrrolidin-1-ium-1-yl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(S)-3-pyridinyl(1-pyrrolidin-1-iumyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-pyridin-3-yl(pyrrolidin-1-ium-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-3-pyridyl(pyrrolidin-1-ium-1-yl)methyl]-2-thienyl]-2-furamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CN=CC=C2)[NH+]3CCCC3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CN=CC=C2)[NH+]3CCCC3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C21H23N3O2S/c1-14-15(2)27-21(23-20(25)17-8-6-12-26-17)18(14)19(24-10-3-4-11-24)16-7-5-9-22-13-16/h5-9,12-13,19H,3-4,10-11H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1