1-[4-[[2,6-bis(chloranyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 1-[4-[[2,6-bis(chloranyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-[(2,6-dichlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 1-[4-[(2,6-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-[4-[(2,6-dichlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-(2,6-dichlorobenzyl)piperazin-4-ium-1-yl]butan-1-one Formula: C15H21Cl2N2O+ MolecularWeight: 316.24604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C15H20Cl2N2O/c1-2-4-15(20)19-9-7-18(8-10-19)11-12-13(16)5-3-6-14(12)17/h3,5-6H,2,4,7-11H2,1H3/p+1