[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(2R)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]-[(1R)-1-phenylethyl]ammonium Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(COC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]C[C@H](COC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H21NO4/c1-13(14-5-3-2-4-6-14)19-10-15(20)11-21-16-7-8-17-18(9-16)23-12-22-17/h2-9,13,15,19-20H,10-12H2,1H3/p+1/t13-,15-/m1/s1