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

Systemtic Name: [(2S,3S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[[4-(2-furylmethyl)piperazin-4-ium-1-yl]methyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-3-methylpentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-methylpentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[[4-(2-furfuryl)piperazin-4-ium-1-yl]methyl]-2-methyl-butyl]ammonium Formula: C15H29N3O+2 MolecularWeight: 267.41026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O/c1-3-13(2)15(16)12-18-8-6-17(7-9-18)11-14-5-4-10-19-14/h4-5,10,13,15H,3,6-9,11-12,16H2,1-2H3/p+2/t13-,15+/m0/s1