1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[(1R)-1-methyl-3-phenyl-propyl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[(1R)-1-methyl-3-phenyl-propyl]piperazine-1,4-diium Formula: C16H28N2+2 MolecularWeight: 248.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C)CCC2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C16H26N2/c1-3-17-11-13-18(14-12-17)15(2)9-10-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3/p+2/t15-/m1/s1