1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-ium-1-yl)butan-1-one chloride hydrochloride

Systemtic Name: 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-ium-1-yl)butan-1-one chloride hydrochloride Openeye Name: 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-ium-1-yl)butan-1-one chloride hydrochloride CAS Name: 1-(4-fluorophenyl)-4-(4-phenyl-1-piperazin-1-iumyl)-1-butanone chloride hydrochloride IUPAC Name: 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-ium-1-yl)butan-1-one chloride hydrochloride Traditional Name: 1-(4-fluorophenyl)-4-(4-phenylpiperazin-1-ium-1-yl)butan-1-one chloride hydrochloride Formula: C20H25Cl2FN2O MolecularWeight: 399.329703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.Cl.[Cl-]

InChI

InChI=1S/C20H23FN2O.2ClH/c21-18-10-8-17(9-11-18)20(24)7-4-12-22-13-15-23(16-14-22)19-5-2-1-3-6-19;;/h1-3,5-6,8-11H,4,7,12-16H2;2*1H