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

Systemtic Name: 1-[4-ethoxy-3-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-ethoxy-phenyl]ethanone Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-3-27-21-10-9-19(17(2)25)15-20(21)16-23-11-13-24(14-12-23)22(26)18-7-5-4-6-8-18/h4-10,15H,3,11-14,16H2,1-2H3/p+1