N-(furan-2-ylmethyl)-5-[(2S)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-5-[(2S)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(2-furylmethyl)-5-[(2S)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(2-furanylmethyl)-5-[(2S)-1-[(2-hydroxyphenyl)methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-5-[(2S)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(2-furfuryl)-5-[(2S)-1-salicylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=CC=C2O)C3=CC=C(S3)C(=O)NCC4=CC=CO4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC=CC=C2O)C3=CC=C(S3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H22N2O3S/c24-18-8-2-1-5-15(18)14-23-11-3-7-17(23)19-9-10-20(27-19)21(25)22-13-16-6-4-12-26-16/h1-2,4-6,8-10,12,17,24H,3,7,11,13-14H2,(H,22,25)/p+1/t17-/m0/s1