2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C(C)C

InChI

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