1,3-benzodioxol-5-ylmethyl-[(2R)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]-ethyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]-ethyl-azanium Openeye Name: [(2R)-3-benzhydryloxy-2-hydroxy-propyl]-(1,3-benzodioxol-5-ylmethyl)-ethyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-3-(diphenylmethyl)oxy-2-hydroxypropyl]-ethylammonium IUPAC Name: [(2R)-3-benzhydryloxy-2-hydroxypropyl]-(1,3-benzodioxol-5-ylmethyl)-ethylazanium Traditional Name: [(2R)-3-benzhydryloxy-2-hydroxy-propyl]-ethyl-piperonyl-ammonium Formula: C26H30NO4+ MolecularWeight: 420.5207

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC[NH+](CC1=CC2=C(C=C1)OCO2)C[C@H](COC(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H29NO4/c1-2-27(16-20-13-14-24-25(15-20)31-19-30-24)17-23(28)18-29-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,23,26,28H,2,16-19H2,1H3/p+1/t23-/m1/s1