2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1[NH2+]CC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

C[C@H]1CCC[C@@H](C1[NH2+]CC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C17H25NO2/c1-12-4-3-5-13(2)17(12)18-11-14-6-7-15-16(10-14)20-9-8-19-15/h6-7,10,12-13,17-18H,3-5,8-9,11H2,1-2H3/p+1/t12-,13-/m0/s1