4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]butylazanium

Systemtic Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]butylazanium Openeye Name: 4-[4-(2-furylmethyl)piperazin-4-ium-1-yl]butylammonium CAS Name: 4-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]butylammonium IUPAC Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]butylazanium Traditional Name: 4-[4-(2-furfuryl)piperazin-4-ium-1-yl]butylammonium Formula: C13H25N3O+2 MolecularWeight: 239.3571

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)CCCC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)CCCC[NH3+]

InChI

InChI=1S/C13H23N3O/c14-5-1-2-6-15-7-9-16(10-8-15)12-13-4-3-11-17-13/h3-4,11H,1-2,5-10,12,14H2/p+2