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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-oxidanyl-3-phenoxy-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-phenoxy-propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-phenoxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-phenoxypropyl]azanium Traditional Name: [(2S)-2-hydroxy-3-phenoxy-propyl]-piperonyl-ammonium Formula: C17H20NO4+ MolecularWeight: 302.345

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC(COC3=CC=CC=C3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C17H19NO4/c19-14(11-20-15-4-2-1-3-5-15)10-18-9-13-6-7-16-17(8-13)22-12-21-16/h1-8,14,18-19H,9-12H2/p+1/t14-/m0/s1