1-[(3R)-3-(furan-2-yl)-6-methyl-heptyl]-4-methyl-piperazin-1-ium

Systemtic Name: 1-[(3R)-3-(furan-2-yl)-6-methyl-heptyl]-4-methyl-piperazin-1-ium Openeye Name: 1-[(3R)-3-(2-furyl)-6-methyl-heptyl]-4-methyl-piperazin-1-ium CAS Name: 1-[(3R)-3-(2-furanyl)-6-methylheptyl]-4-methylpiperazin-1-ium IUPAC Name: 1-[(3R)-3-(furan-2-yl)-6-methylheptyl]-4-methylpiperazin-1-ium Traditional Name: 1-[(3R)-3-(2-furyl)-6-methyl-heptyl]-4-methyl-piperazin-1-ium Formula: C17H31N2O+ MolecularWeight: 279.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH+]1CCN(CC1)C)C2=CC=CO2

Isomeric SMILES

CC(C)CC[C@H](CC[NH+]1CCN(CC1)C)C2=CC=CO2

InChI

InChI=1S/C17H30N2O/c1-15(2)6-7-16(17-5-4-14-20-17)8-9-19-12-10-18(3)11-13-19/h4-5,14-16H,6-13H2,1-3H3/p+1/t16-/m1/s1