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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-ethoxybenzyl)-homopiperonyl-(4-pyridylmethyl)ammonium Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=NC=C4

InChI

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