N-(furan-2-ylmethyl)-5-[(2S)-1-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-5-[(2S)-1-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(2-furylmethyl)-5-[(2S)-1-[(2-oxo-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(2-furanylmethyl)-5-[(2S)-1-[(2-oxo-1H-pyridin-4-yl)methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-5-[(2S)-1-[(2-oxo-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(2-furfuryl)-5-[(2S)-1-[(2-keto-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=O)NC=C2)C3=CC=C(S3)C(=O)NCC4=CC=CO4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC(=O)NC=C2)C3=CC=C(S3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C20H21N3O3S/c24-19-11-14(7-8-21-19)13-23-9-1-4-16(23)17-5-6-18(27-17)20(25)22-12-15-3-2-10-26-15/h2-3,5-8,10-11,16H,1,4,9,12-13H2,(H,21,24)(H,22,25)/p+1/t16-/m0/s1