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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-(furan-2-ylmethyl)azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-(2-furylmethyl)ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-(2-furanylmethyl)ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-(furan-2-ylmethyl)azanium Traditional Name: (2-ethoxybenzyl)-(2-furfuryl)-homopiperonyl-ammonium Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

InChI

InChI=1S/C23H25NO4/c1-2-25-21-8-4-3-6-19(21)15-24(16-20-7-5-13-26-20)12-11-18-9-10-22-23(14-18)28-17-27-22/h3-10,13-14H,2,11-12,15-17H2,1H3/p+1