1,3-benzodioxol-5-ylmethyl-[(1S,3R)-3-methylcyclohexyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S,3R)-3-methylcyclohexyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S,3R)-3-methylcyclohexyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S,3R)-3-methylcyclohexyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S,3R)-3-methylcyclohexyl]azanium Traditional Name: [(1S,3R)-3-methylcyclohexyl]-piperonyl-ammonium Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-11-3-2-4-13(7-11)16-9-12-5-6-14-15(8-12)18-10-17-14/h5-6,8,11,13,16H,2-4,7,9-10H2,1H3/p+1/t11-,13+/m1/s1