1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-benzoyl-1-piperidin-1-iumyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C26H35N3O2+2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c1-21-7-5-6-10-24(21)19-28-15-17-29(18-16-28)25(30)20-27-13-11-23(12-14-27)26(31)22-8-3-2-4-9-22/h2-10,23H,11-20H2,1H3/p+2