(2R)-1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C15H20ClN2O3+ MolecularWeight: 311.7839

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)N

InChI

InChI=1S/C15H19ClN2O3/c16-11-7-10(8-13-14(11)21-6-2-5-20-13)9-18-4-1-3-12(18)15(17)19/h7-8,12H,1-6,9H2,(H2,17,19)/p+1/t12-/m1/s1