1,3-benzodioxol-5-ylmethyl-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-piperonyl-ammonium Formula: C19H24NO4+ MolecularWeight: 330.39816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(C[NH2+]CC2=CC3=C(C=C2)OCO3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@H](C[NH2+]CC2=CC3=C(C=C2)OCO3)O)C

InChI

InChI=1S/C19H23NO4/c1-13-3-5-17(7-14(13)2)22-11-16(21)10-20-9-15-4-6-18-19(8-15)24-12-23-18/h3-8,16,20-21H,9-12H2,1-2H3/p+1/t16-/m0/s1