2-azaniumylethyl-(1,3-benzodioxol-5-ylmethyl)-prop-2-enyl-azanium

Systemtic Name: 2-azaniumylethyl-(1,3-benzodioxol-5-ylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-(2-azaniumylethyl)-(1,3-benzodioxol-5-ylmethyl)ammonium CAS Name: 2-ammonioethyl-(1,3-benzodioxol-5-ylmethyl)-prop-2-enylammonium IUPAC Name: 2-azaniumylethyl-(1,3-benzodioxol-5-ylmethyl)-prop-2-enylazanium Traditional Name: allyl-(2-ammonioethyl)-piperonyl-ammonium Formula: C13H20N2O2+2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC[NH3+])CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C=CC[NH+](CC[NH3+])CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H18N2O2/c1-2-6-15(7-5-14)9-11-3-4-12-13(8-11)17-10-16-12/h2-4,8H,1,5-7,9-10,14H2/p+2