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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-(pyridin-1-ium-3-ylmethyl)azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-(pyridin-1-ium-3-ylmethyl)ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-(3-pyridin-1-iumylmethyl)ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-(pyridin-1-ium-3-ylmethyl)azanium Traditional Name: (4-ethoxybenzyl)-homopiperonyl-(pyridin-1-ium-3-ylmethyl)ammonium Formula: C24H28N2O3+2 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-2-27-22-8-5-20(6-9-22)16-26(17-21-4-3-12-25-15-21)13-11-19-7-10-23-24(14-19)29-18-28-23/h3-10,12,14-15H,2,11,13,16-18H2,1H3/p+2