2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-methylphenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-methylphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-(p-tolylmethyl)ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-methylphenyl)methyl]azanium Traditional Name: (4-ethoxybenzyl)-homopiperonyl-(4-methylbenzyl)ammonium Formula: C26H30NO3+ MolecularWeight: 404.5213

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C26H29NO3/c1-3-28-24-11-8-23(9-12-24)18-27(17-22-6-4-20(2)5-7-22)15-14-21-10-13-25-26(16-21)30-19-29-25/h4-13,16H,3,14-15,17-19H2,1-2H3/p+1