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

Systemtic Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-butan-1-one Openeye Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-butan-1-one CAS Name: 1-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-ethyl-1-butanone IUPAC Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-ethylbutan-1-one Traditional Name: 1-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-2-ethyl-butan-1-one Formula: C17H26ClN2O+ MolecularWeight: 309.85414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O/c1-3-14(4-2)17(21)20-11-9-19(10-12-20)13-15-7-5-6-8-16(15)18/h5-8,14H,3-4,9-13H2,1-2H3/p+1