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

Systemtic Name: [2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [2-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [2-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [2-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

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