[(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-cyclohexyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-cyclohexyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-cyclohexyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-cyclohexyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-cyclohexyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-cyclohexyl-methyl-ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C(C[NH3+])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](C1CCCCC1)[C@H](C[NH3+])C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H26N2O2/c1-19(14-5-3-2-4-6-14)15(12-18)13-7-8-16-17(11-13)21-10-9-20-16/h7-8,11,14-15H,2-6,9-10,12,18H2,1H3/p+2/t15-/m1/s1