2-(3-methylphenyl)-1-(4-propylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(3-methylphenyl)-1-(4-propylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(m-tolyl)-1-(4-propylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(3-methylphenyl)-1-(4-propyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(3-methylphenyl)-1-(4-propylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(m-tolyl)-1-(4-propylpiperazin-4-ium-1-yl)ethanone Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)CC2=CC=CC(=C2)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)CC2=CC=CC(=C2)C

InChI

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