N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=C(C=CS2)C#N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC2=C(C=CS2)C#N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O3S/c21-12-15-6-10-27-20(15)22-19(24)13-23-7-1-3-16(23)14-4-5-17-18(11-14)26-9-2-8-25-17/h4-6,10-11,16H,1-3,7-9,13H2,(H,22,24)/p+1/t16-/m1/s1