[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [(2R)-2-hydroxy-3-piperonyloxy-propyl]-(4-isopropylbenzyl)-methyl-ammonium Formula: C22H30NO4+ MolecularWeight: 372.4779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)C[C@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C22H29NO4/c1-16(2)19-7-4-17(5-8-19)11-23(3)12-20(24)14-25-13-18-6-9-21-22(10-18)27-15-26-21/h4-10,16,20,24H,11-15H2,1-3H3/p+1/t20-/m1/s1