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

Systemtic Name: [4-[(4-methylphenyl)methyl]-4-phenyl-piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: phenyl-[4-phenyl-4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-4-phenyl-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(4-methylphenyl)methyl]-4-phenylpiperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(4-methylbenzyl)-4-phenyl-piperazin-4-ium-1-yl]-phenyl-methanone Formula: C25H27N2O+ MolecularWeight: 371.49468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N2O/c1-21-12-14-22(15-13-21)20-27(24-10-6-3-7-11-24)18-16-26(17-19-27)25(28)23-8-4-2-5-9-23/h2-15H,16-20H2,1H3/q+1