1-(furan-2-ylmethyl)-4-[(1S,2S)-2-methylcyclohexyl]piperazine-1,4-diium

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(1S,2S)-2-methylcyclohexyl]piperazine-1,4-diium Openeye Name: 1-(2-furylmethyl)-4-[(1S,2S)-2-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-(2-furanylmethyl)-4-[(1S,2S)-2-methylcyclohexyl]piperazine-1,4-diium IUPAC Name: 1-(furan-2-ylmethyl)-4-[(1S,2S)-2-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-(2-furfuryl)-4-[(1S,2S)-2-methylcyclohexyl]piperazine-1,4-diium Formula: C16H28N2O+2 MolecularWeight: 264.40632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH+]2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C16H26N2O/c1-14-5-2-3-7-16(14)18-10-8-17(9-11-18)13-15-6-4-12-19-15/h4,6,12,14,16H,2-3,5,7-11,13H2,1H3/p+2/t14-,16-/m0/s1