1,3-benzodioxol-5-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium Traditional Name: [(2S,6S)-2,6-dimethylcyclohexyl]-piperonyl-ammonium Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1[NH2+]CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

C[C@H]1CCC[C@@H](C1[NH2+]CC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H23NO2/c1-11-4-3-5-12(2)16(11)17-9-13-6-7-14-15(8-13)19-10-18-14/h6-8,11-12,16-17H,3-5,9-10H2,1-2H3/p+1/t11-,12-/m0/s1