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1,3-benzodioxol-5-ylmethyl-[(4-cyanophenyl)methyl]-ethyl-azanium

1,3-benzodioxol-5-ylmethyl-[(4-cyanophenyl)methyl]-ethyl-azanium

Systemtic Name:1,3-benzodioxol-5-ylmethyl-[(4-cyanophenyl)methyl]-ethyl-azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-[(4-cyanophenyl)methyl]-ethyl-ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-[(4-cyanophenyl)methyl]-ethylammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-[(4-cyanophenyl)methyl]-ethylazanium
Traditional Name:(4-cyanobenzyl)-ethyl-piperonyl-ammonium
Formula: C18H19N2O2+
MolecularWeight: 295.35566
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)C#N)CC2=CC3=C(C=C2)OCO3


Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)C#N)CC2=CC3=C(C=C2)OCO3


InChI

InChI=1S/C18H18N2O2/c1-2-20(11-15-5-3-14(10-19)4-6-15)12-16-7-8-17-18(9-16)22-13-21-17/h3-9H,2,11-13H2,1H3/p+1


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