5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pentan-1-one chloride

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pentan-1-one chloride Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pentan-1-one chloride CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-1-pentanone chloride IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-1-phenylpentan-1-one chloride Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pentan-1-one chloride Formula: C16H25ClN2O MolecularWeight: 296.8355

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCCC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCCC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H24N2O.ClH/c1-17-11-13-18(14-12-17)10-6-5-9-16(19)15-7-3-2-4-8-15;/h2-4,7-8H,5-6,9-14H2,1H3;1H