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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxy-3-methoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxy-3-methoxyphenyl)methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-piperonyl-ammonium Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C18H21NO4/c1-3-21-15-6-4-13(8-17(15)20-2)10-19-11-14-5-7-16-18(9-14)23-12-22-16/h4-9,19H,3,10-12H2,1-2H3/p+1