1,3-benzodioxol-5-ylmethyl-[(3,4-dimethylphenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dimethylphenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dimethylphenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dimethylphenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dimethylphenyl)methyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: (3,4-dimethylbenzyl)-[(2S)-2-hydroxypropyl]-piperonyl-ammonium Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+](CC2=CC3=C(C=C2)OCO3)CC(C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+](CC2=CC3=C(C=C2)OCO3)C[C@H](C)O)C

InChI

InChI=1S/C20H25NO3/c1-14-4-5-17(8-15(14)2)11-21(10-16(3)22)12-18-6-7-19-20(9-18)24-13-23-19/h4-9,16,22H,10-13H2,1-3H3/p+1/t16-/m0/s1