1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 1-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-(2-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=CC=C2Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O/c1-2-5-15(19)18-10-8-17(9-11-18)12-13-6-3-4-7-14(13)16/h3-4,6-7H,2,5,8-12H2,1H3/p+1