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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-benzhydryloxy-2-hydroxy-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-3-(diphenylmethyl)oxy-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-benzhydryloxy-2-hydroxypropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [(2S)-3-benzhydryloxy-2-hydroxy-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C26H30NO4+ MolecularWeight: 420.5207

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)C[C@@H](COC(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H29NO4/c1-27(17-20-12-13-24-25(16-20)30-15-14-29-24)18-23(28)19-31-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,16,23,26,28H,14-15,17-19H2,1H3/p+1/t23-/m0/s1