N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H21N3O3S/c25-20(22-11-14-7-8-17-18(10-14)27-13-26-17)12-24-9-3-5-16(24)21-23-15-4-1-2-6-19(15)28-21/h1-2,4,6-8,10,16H,3,5,9,11-13H2,(H,22,25)/p+1/t16-/m1/s1