[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [2-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [2-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [2-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O2/c1-20-9-5-6-12-22(20)19-27-15-17-28(18-16-27)26(30)24-14-8-7-13-23(24)25(29)21-10-3-2-4-11-21/h2-14H,15-19H2,1H3/p+1