2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]-methyl-azanium Openeye Name: (5-allyl-2-hydroxy-3-methoxy-phenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-methylazanium Traditional Name: (5-allyl-2-hydroxy-3-methoxy-benzyl)-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC3=C(C(=CC(=C3)CC=C)OC)O

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC3=C(C(=CC(=C3)CC=C)OC)O

InChI

InChI=1S/C21H25NO4/c1-4-5-15-10-17(21(23)20(11-15)24-3)14-22(2)13-16-6-7-18-19(12-16)26-9-8-25-18/h4,6-7,10-12,23H,1,5,8-9,13-14H2,2-3H3/p+1