1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]butan-1-one Formula: C15H22ClN2O+ MolecularWeight: 281.80098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O/c1-2-3-15(19)18-10-8-17(9-11-18)12-13-4-6-14(16)7-5-13/h4-7H,2-3,8-12H2,1H3/p+1