3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)[NH2+]CCC[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C16H26N2O2/c1-13(17-8-4-9-18(2)3)14-6-7-15-16(12-14)20-11-5-10-19-15/h6-7,12-13,17H,4-5,8-11H2,1-3H3/p+2/t13-/m0/s1