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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: [3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-piperonyl-ammonium Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=C(C=C4)C

InChI

InChI=1S/C25H27NO4/c1-3-27-24-12-20(8-10-22(24)28-16-19-6-4-18(2)5-7-19)14-26-15-21-9-11-23-25(13-21)30-17-29-23/h4-13,26H,3,14-17H2,1-2H3/p+1