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

Systemtic Name: 3-[[4-(4-methoxy-3,5-dimethyl-phenyl)phenyl]methyl]-1,4-dimethyl-1-oxidanidyl-piperazin-1-ium-2-one Openeye Name: 3-[[4-(4-methoxy-3,5-dimethyl-phenyl)phenyl]methyl]-1,4-dimethyl-1-oxido-piperazin-1-ium-2-one CAS Name: 3-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]-1,4-dimethyl-1-oxido-2-piperazin-1-iumone IUPAC Name: 3-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]-1,4-dimethyl-1-oxidopiperazin-1-ium-2-one Traditional Name: 3-[4-(4-methoxy-3,5-dimethyl-phenyl)benzyl]-1,4-dimethyl-1-oxido-piperazin-1-ium-2-one Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C2=CC=C(C=C2)CC3C(=O)[N+](CCN3C)(C)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C2=CC=C(C=C2)CC3C(=O)[N+](CCN3C)(C)[O-]

InChI

InChI=1S/C22H28N2O3/c1-15-12-19(13-16(2)21(15)27-5)18-8-6-17(7-9-18)14-20-22(25)24(4,26)11-10-23(20)3/h6-9,12-13,20H,10-11,14H2,1-5H3