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

Systemtic Name: N-(butylcarbamoyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C[NH+]1CCCC1C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H29N3O4/c1-2-3-9-21-20(25)22-19(24)14-23-10-4-6-16(23)15-7-8-17-18(13-15)27-12-5-11-26-17/h7-8,13,16H,2-6,9-12,14H2,1H3,(H2,21,22,24,25)/p+1/t16-/m1/s1