3-methyl-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one chloride

Systemtic Name: 3-methyl-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one chloride Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-phenyl-butan-1-one chloride CAS Name: 3-methyl-2-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone chloride IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-phenylbutan-1-one chloride Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-phenyl-butan-1-one chloride Formula: C22H29ClN2O MolecularWeight: 372.93146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H28N2O.ClH/c1-18(2)21(20-11-7-4-8-12-20)22(25)24-15-13-23(14-16-24)17-19-9-5-3-6-10-19;/h3-12,18,21H,13-17H2,1-2H3;1H