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

Systemtic Name: [(2S)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium Openeye Name: [(2S)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: [(2S)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: [(2S)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [(2S)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C23H32NO4+ MolecularWeight: 386.50448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(C[NH+](C)CC2=CC3=C(C=C2)OCCO3)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@H](C[NH+](C)CC2=CC3=C(C=C2)OCCO3)O

InChI

InChI=1S/C23H31NO4/c1-23(2,3)19-7-5-6-8-20(19)28-16-18(25)15-24(4)14-17-9-10-21-22(13-17)27-12-11-26-21/h5-10,13,18,25H,11-12,14-16H2,1-4H3/p+1/t18-/m0/s1