2,2-dimethyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2,2-dimethyl-propan-1-one CAS Name: 2,2-dimethyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2,2-dimethylpropan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2,2-dimethyl-propan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-16(2,3)15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/p+1