1-[4-[4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2R)-4-phenylbutan-2-yl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H29N2O+ MolecularWeight: 337.47846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H28N2O/c1-18(8-9-20-6-4-3-5-7-20)23-14-16-24(17-15-23)22-12-10-21(11-13-22)19(2)25/h3-7,10-13,18H,8-9,14-17H2,1-2H3/p+1/t18-/m1/s1