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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(3-methylphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-(m-tolylmethyl)ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(3-methylphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(3-methylphenyl)methyl]azanium Traditional Name: (4-ethoxybenzyl)-homopiperonyl-(3-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=CC(=C4)C

Isomeric SMILES

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

InChI

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