1,3-benzodioxol-5-ylmethyl-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]azanium Openeye Name: (3-allyl-4-ethoxy-5-methoxy-phenyl)methyl-(1,3-benzodioxol-5-ylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]azanium Traditional Name: (3-allyl-4-ethoxy-5-methoxy-benzyl)-piperonyl-ammonium Formula: C21H26NO4+ MolecularWeight: 356.43544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)C[NH2+]CC2=CC3=C(C=C2)OCO3)CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)C[NH2+]CC2=CC3=C(C=C2)OCO3)CC=C

InChI

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