2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(isoamylcarbamoyl)acetamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CCCC1C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H29N3O4/c1-14(2)7-8-21-20(25)22-19(24)13-23-9-3-4-16(23)15-5-6-17-18(12-15)27-11-10-26-17/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H2,21,22,24,25)/p+1/t16-/m1/s1