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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-methyl-acetamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCCC1C2=CC3=C(C=C2)OCCCO3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCC[C@@H]1C2=CC3=C(C=C2)OCCCO3)C4(CCCCC4)C#N

InChI

InChI=1S/C23H31N3O3/c1-25(23(17-24)10-3-2-4-11-23)22(27)16-26-12-5-7-19(26)18-8-9-20-21(15-18)29-14-6-13-28-20/h8-9,15,19H,2-7,10-14,16H2,1H3/p+1/t19-/m1/s1