1-[4-methoxy-3-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-methoxy-phenyl]ethanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-16(24)18-8-9-20(26-2)19(14-18)15-22-10-12-23(13-11-22)21(25)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1