8-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]quinoline Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=CC3=C2N=CC=C3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=CC3=C2N=CC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H24N2O2/c1-5-17-7-2-11-24-23(17)19(6-1)16-25-12-3-8-20(25)18-9-10-21-22(15-18)27-14-4-13-26-21/h1-2,5-7,9-11,15,20H,3-4,8,12-14,16H2/p+1/t20-/m1/s1