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

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25N3O4/c26-21(24-22(27)23-17-6-2-1-3-7-17)15-25-11-4-8-18(25)16-9-10-19-20(14-16)29-13-5-12-28-19/h1-3,6-7,9-10,14,18H,4-5,8,11-13,15H2,(H2,23,24,26,27)/p+1/t18-/m1/s1