1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O/c1-17-6-5-9-19(14-17)16-21-10-12-22(13-11-21)20(23)15-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3/p+1