2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C[NH+](C)CC2=CC3=C(C=C2)OCCO3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](C[NH+](C)CC2=CC3=C(C=C2)OCCO3)O

InChI

InChI=1S/C21H27NO4/c1-15-5-4-6-16(2)21(15)26-14-18(23)13-22(3)12-17-7-8-19-20(11-17)25-10-9-24-19/h4-8,11,18,23H,9-10,12-14H2,1-3H3/p+1/t18-/m0/s1