1-[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]pentan-1-one

Systemtic Name: 1-[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]pentan-1-one Openeye Name: 1-[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]pentan-1-one CAS Name: 1-[4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-1-pentanone IUPAC Name: 1-[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]pentan-1-one Traditional Name: 1-[4-(3,4-dichlorobenzyl)piperazin-4-ium-1-yl]pentan-1-one Formula: C16H23Cl2N2O+ MolecularWeight: 330.27262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O/c1-2-3-4-16(21)20-9-7-19(8-10-20)12-13-5-6-14(17)15(18)11-13/h5-6,11H,2-4,7-10,12H2,1H3/p+1