4-[4-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]butan-2-one Openeye Name: 4-[4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]phenyl]butan-2-one CAS Name: 4-[4-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]phenyl]butan-2-one Traditional Name: 4-[4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]phenyl]butan-2-one Formula: C23H31N2O2+ MolecularWeight: 367.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-20(26)7-8-21-9-11-23(12-10-21)27-18-17-24-13-15-25(16-14-24)19-22-5-3-2-4-6-22/h2-6,9-12H,7-8,13-19H2,1H3/p+1