1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]hexan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]hexan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]hexan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]-1-hexanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]hexan-1-one Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]hexan-1-one Formula: C17H26ClN2O+ MolecularWeight: 309.85414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O/c1-3-4-5-6-17(21)20-11-9-19(10-12-20)16-13-15(18)8-7-14(16)2/h7-8,13H,3-6,9-12H2,1-2H3/p+1