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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-benzhydryloxy-2-hydroxy-propyl]-(1,3-benzodioxol-5-ylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(diphenylmethyl)oxy-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-benzhydryloxy-2-hydroxypropyl]-(1,3-benzodioxol-5-ylmethyl)azanium Traditional Name: [(2S)-3-benzhydryloxy-2-hydroxy-propyl]-piperonyl-ammonium Formula: C24H26NO4+ MolecularWeight: 392.46754

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C[C@@H](COC(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H25NO4/c26-21(15-25-14-18-11-12-22-23(13-18)29-17-28-22)16-27-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-13,21,24-26H,14-17H2/p+1/t21-/m0/s1