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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(C1=CC2=C(C=C1)OCCCO2)[NH3+]

Isomeric SMILES

CC[NH+](CC)CC[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH3+]

InChI

InChI=1S/C16H26N2O2/c1-3-18(4-2)9-8-14(17)13-6-7-15-16(12-13)20-11-5-10-19-15/h6-7,12,14H,3-5,8-11,17H2,1-2H3/p+2/t14-/m0/s1