N-(3-cyanothiophen-2-yl)-3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propionamide Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)NC2=C(C=CS2)C#N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)NC2=C(C=CS2)C#N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N3O3S/c21-13-15-6-11-27-20(15)22-19(24)5-8-23-7-1-2-16(23)14-3-4-17-18(12-14)26-10-9-25-17/h3-4,6,11-12,16H,1-2,5,7-10H2,(H,22,24)/p+1/t16-/m0/s1