4-(4-chloranyl-2-methyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)butan-1-one CAS Name: 4-(4-chloro-2-methylphenoxy)-1-(4-ethyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(4-chloro-2-methylphenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)butan-1-one Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C17H25ClN2O2/c1-3-19-8-10-20(11-9-19)17(21)5-4-12-22-16-7-6-15(18)13-14(16)2/h6-7,13H,3-5,8-12H2,1-2H3/p+1