[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium

Systemtic Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium Openeye Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-piperonyloxy-propyl]-methyl-ammonium Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COCC1=CC2=C(C=C1)OCO2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@H](COCC1=CC2=C(C=C1)OCO2)O)C3CCCCC3

InChI

InChI=1S/C18H27NO4/c1-19(15-5-3-2-4-6-15)10-16(20)12-21-11-14-7-8-17-18(9-14)23-13-22-17/h7-9,15-16,20H,2-6,10-13H2,1H3/p+1/t16-/m1/s1