[(1R,2S)-2-(1,3-benzodioxol-5-yloxy)-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2S)-2-(1,3-benzodioxol-5-yloxy)-1-phenyl-butyl]azanium Openeye Name: [(1R,2S)-2-(1,3-benzodioxol-5-yloxy)-1-phenyl-butyl]ammonium CAS Name: [(1R,2S)-2-(1,3-benzodioxol-5-yloxy)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2S)-2-(1,3-benzodioxol-5-yloxy)-1-phenylbutyl]azanium Traditional Name: [(1R,2S)-2-(1,3-benzodioxol-5-yloxy)-1-phenyl-butyl]ammonium Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)[NH3+])OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC=CC=C1)[NH3+])OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO3/c1-2-14(17(18)12-6-4-3-5-7-12)21-13-8-9-15-16(10-13)20-11-19-15/h3-10,14,17H,2,11,18H2,1H3/p+1/t14-,17+/m0/s1