3-[[4-(3,5-dimethylphenyl)phenyl]methyl]-1,4-dimethyl-1-oxidanidyl-piperazin-1-ium-2-one

Systemtic Name: 3-[[4-(3,5-dimethylphenyl)phenyl]methyl]-1,4-dimethyl-1-oxidanidyl-piperazin-1-ium-2-one Openeye Name: 3-[[4-(3,5-dimethylphenyl)phenyl]methyl]-1,4-dimethyl-1-oxido-piperazin-1-ium-2-one CAS Name: 3-[[4-(3,5-dimethylphenyl)phenyl]methyl]-1,4-dimethyl-1-oxido-2-piperazin-1-iumone IUPAC Name: 3-[[4-(3,5-dimethylphenyl)phenyl]methyl]-1,4-dimethyl-1-oxidopiperazin-1-ium-2-one Traditional Name: 3-[4-(3,5-dimethylphenyl)benzyl]-1,4-dimethyl-1-oxido-piperazin-1-ium-2-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC=C(C=C2)CC3C(=O)[N+](CCN3C)(C)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC=C(C=C2)CC3C(=O)[N+](CCN3C)(C)[O-])C

InChI

InChI=1S/C21H26N2O2/c1-15-11-16(2)13-19(12-15)18-7-5-17(6-8-18)14-20-21(24)23(4,25)10-9-22(20)3/h5-8,11-13,20H,9-10,14H2,1-4H3