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

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

Systemtic Name:4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]butylazanium
Openeye Name:4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]butylammonium
CAS Name:4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]butylammonium
IUPAC Name:4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]butylazanium
Traditional Name:4-(4-piperonylpiperazin-1-ium-1-yl)butylammonium
Formula: C16H27N3O2+2
MolecularWeight: 293.40448
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H25N3O2/c17-5-1-2-6-18-7-9-19(10-8-18)12-14-3-4-15-16(11-14)21-13-20-15/h3-4,11H,1-2,5-10,12-13,17H2/p+2


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