1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(2-furfuryl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC=CO2

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC=CO2

InChI

InChI=1S/C14H22N2O2/c1-12(2)10-14(17)16-7-5-15(6-8-16)11-13-4-3-9-18-13/h3-4,9,12H,5-8,10-11H2,1-2H3/p+1