1,3-benzodioxol-5-ylmethyl-[[4-[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-ethoxy-phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-ethoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methyl]azanium Traditional Name: [4-[(1R)-2-(dimethylamino)-2-keto-1-methyl-ethoxy]-3-ethoxy-benzyl]-piperonyl-ammonium Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC(C)C(=O)N(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)O[C@H](C)C(=O)N(C)C

InChI

InChI=1S/C22H28N2O5/c1-5-26-21-11-17(7-9-19(21)29-15(2)22(25)24(3)4)13-23-12-16-6-8-18-20(10-16)28-14-27-18/h6-11,15,23H,5,12-14H2,1-4H3/p+1/t15-/m1/s1