1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,3-dione

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,3-dione Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)butane-1,3-dione CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butane-1,3-dione IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)butane-1,3-dione Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)butane-1,3-dione Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O2/c1-13(18)11-15(19)17-9-7-16(8-10-17)12-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3/p+1