3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-(4-piperonylpiperazin-1-ium-1-yl)propylammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC[NH3+])CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC[NH+]1CCC[NH3+])CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H23N3O2/c16-4-1-5-17-6-8-18(9-7-17)11-13-2-3-14-15(10-13)20-12-19-14/h2-3,10H,1,4-9,11-12,16H2/p+2