[(2R)-2-(azepan-1-ium-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[NH3+])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C[NH3+])C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H24N2O2/c17-12-14(18-7-3-1-2-4-8-18)13-5-6-15-16(11-13)20-10-9-19-15/h5-6,11,14H,1-4,7-10,12,17H2/p+2/t14-/m0/s1