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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-(phenylmethyl)azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-benzyl-[(4-ethoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-(phenylmethyl)ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-benzyl-[(4-ethoxyphenyl)methyl]azanium Traditional Name: benzyl-(4-ethoxybenzyl)-homopiperonyl-ammonium Formula: C25H28NO3+ MolecularWeight: 390.49472

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3/c1-2-27-23-11-8-22(9-12-23)18-26(17-21-6-4-3-5-7-21)15-14-20-10-13-24-25(16-20)29-19-28-24/h3-13,16H,2,14-15,17-19H2,1H3/p+1