2-(1,3-benzodioxol-5-yl)ethyl-(phenylmethyl)azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-(phenylmethyl)azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-benzyl-ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-(phenylmethyl)ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-benzylazanium Traditional Name: benzyl(homopiperonyl)ammonium Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C16H17NO2/c1-2-4-14(5-3-1)11-17-9-8-13-6-7-15-16(10-13)19-12-18-15/h1-7,10,17H,8-9,11-12H2/p+1