[(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]azanium

Systemtic Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]azanium Openeye Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]ammonium CAS Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]ammonium IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]azanium Traditional Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]ammonium Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC[NH3+])C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](CC[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C16H17NO2/c17-9-8-14(12-4-2-1-3-5-12)13-6-7-15-16(10-13)19-11-18-15/h1-7,10,14H,8-9,11,17H2/p+1/t14-/m0/s1