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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(furan-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2-furylmethyl)-4-[(1S)-1-methylpropyl]piperazin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-4-(2-furanylmethyl)piperazin-4-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-furfuryl)-4-[(1S)-1-methylpropyl]piperazin-1-ium Formula: C13H23N2O+ MolecularWeight: 223.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O/c1-3-12(2)15-8-6-14(7-9-15)11-13-5-4-10-16-13/h4-5,10,12H,3,6-9,11H2,1-2H3/p+1/t12-/m0/s1