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

Systemtic Name: [(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(2-furylmethyl)piperazin-4-ium-1-yl]methyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-3-methylbutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-methylbutan-2-yl]azanium Traditional Name: [(1S)-1-[[4-(2-furfuryl)piperazin-4-ium-1-yl]methyl]-2-methyl-propyl]ammonium Formula: C14H27N3O+2 MolecularWeight: 253.38368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CC[NH+](CC1)CC2=CC=CO2)[NH3+]

Isomeric SMILES

CC(C)[C@@H](CN1CC[NH+](CC1)CC2=CC=CO2)[NH3+]

InChI

InChI=1S/C14H25N3O/c1-12(2)14(15)11-17-7-5-16(6-8-17)10-13-4-3-9-18-13/h3-4,9,12,14H,5-8,10-11,15H2,1-2H3/p+2/t14-/m1/s1