(7-methoxy-1,3-benzodioxol-5-yl)methyl-phenethyl-azanium

Systemtic Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-phenethyl-azanium Openeye Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-phenethyl-ammonium CAS Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-phenethylammonium IUPAC Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-phenethylazanium Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-phenethyl-ammonium Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C17H19NO3/c1-19-15-9-14(10-16-17(15)21-12-20-16)11-18-8-7-13-5-3-2-4-6-13/h2-6,9-10,18H,7-8,11-12H2,1H3/p+1