1,3-benzodioxol-5-ylmethyl-[(3-fluorophenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-fluorophenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-fluorophenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-fluorophenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-fluorophenyl)methyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: (3-fluorobenzyl)-[(2S)-2-hydroxypropyl]-piperonyl-ammonium Formula: C18H21FNO3+ MolecularWeight: 318.362643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC(=CC=C1)F)CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC(=CC=C1)F)CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H20FNO3/c1-13(21)9-20(10-14-3-2-4-16(19)7-14)11-15-5-6-17-18(8-15)23-12-22-17/h2-8,13,21H,9-12H2,1H3/p+1/t13-/m0/s1