1,3-benzodioxol-5-ylmethyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]azanium Traditional Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-piperonyl-ammonium Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]CC2=CC3=C(C=C2)OCO3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO2/c1-12(2)15-6-4-13(3)8-16(15)19-10-14-5-7-17-18(9-14)21-11-20-17/h5,7,9,12-13,15-16,19H,4,6,8,10-11H2,1-3H3/p+1/t13-,15+,16-/m0/s1