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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(4-ethylphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(4-ethylphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(4-ethylphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(4-ethylphenyl)methyl]azanium Traditional Name: (2-ethoxybenzyl)-(4-ethylbenzyl)-homopiperonyl-ammonium Formula: C27H32NO3+ MolecularWeight: 418.54788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4OCC

InChI

InChI=1S/C27H31NO3/c1-3-21-9-11-23(12-10-21)18-28(19-24-7-5-6-8-25(24)29-4-2)16-15-22-13-14-26-27(17-22)31-20-30-26/h5-14,17H,3-4,15-16,18-20H2,1-2H3/p+1