[(2S)-2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]-phenethyl-azanium

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]-phenethyl-azanium Openeye Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-phenethyl-ammonium CAS Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-phenethylammonium IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-phenethylazanium Traditional Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-phenethyl-ammonium Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[NH2+]CCC3=CC=CC=C3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](C[NH2+]CCC3=CC=CC=C3)O

InChI

InChI=1S/C17H19NO3/c19-15(11-18-9-8-13-4-2-1-3-5-13)14-6-7-16-17(10-14)21-12-20-16/h1-7,10,15,18-19H,8-9,11-12H2/p+1/t15-/m1/s1