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

Systemtic Name: [(1R)-3-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium Openeye Name: [(1R)-3-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]ammonium CAS Name: [(1R)-3-(1-azepan-1-iumyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]ammonium IUPAC Name: [(1R)-3-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium Traditional Name: [(1R)-3-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c18-15(7-10-19-8-3-1-2-4-9-19)14-5-6-16-17(13-14)21-12-11-20-16/h5-6,13,15H,1-4,7-12,18H2/p+2/t15-/m1/s1