2-(1,3-benzodioxol-5-yl)ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: homopiperonyl(vanillyl)ammonium Formula: C17H20NO4+ MolecularWeight: 302.345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H19NO4/c1-20-16-9-13(2-4-14(16)19)10-18-7-6-12-3-5-15-17(8-12)22-11-21-15/h2-5,8-9,18-19H,6-7,10-11H2,1H3/p+1