1-[4-[4-(1-phenethylpiperidin-4-yl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1-phenethylpiperidin-4-yl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(1-phenethyl-4-piperidyl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(1-phenethyl-4-piperidinyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-phenethylpiperidin-4-yl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(1-phenethyl-4-piperidyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C25H34N3O+ MolecularWeight: 392.55696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O/c1-21(29)23-7-9-24(10-8-23)27-17-19-28(20-18-27)25-12-15-26(16-13-25)14-11-22-5-3-2-4-6-22/h2-10,25H,11-20H2,1H3/p+1