1,3-benzodioxol-5-ylmethyl-[(1R,2R)-2-tert-butylcyclohexyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1R,2R)-2-tert-butylcyclohexyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R,2R)-2-tert-butylcyclohexyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1R,2R)-2-tert-butylcyclohexyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1R,2R)-2-tert-butylcyclohexyl]azanium Traditional Name: [(1R,2R)-2-tert-butylcyclohexyl]-piperonyl-ammonium Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCCC1[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H27NO2/c1-18(2,3)14-6-4-5-7-15(14)19-11-13-8-9-16-17(10-13)21-12-20-16/h8-10,14-15,19H,4-7,11-12H2,1-3H3/p+1/t14-,15+/m0/s1