2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]ammonium Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)[NH2+]CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO2/c1-13-8-15(11-18(2,3)10-13)19-12-14-4-5-16-17(9-14)21-7-6-20-16/h4-5,9,13,15,19H,6-8,10-12H2,1-3H3/p+1/t13-,15-/m0/s1