1-[4-[4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2-hydroxy-4,5-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-hydroxy-4,5-dimethylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-hydroxy-4,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2-hydroxy-4,5-dimethyl-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H26N2O2/c1-15-12-19(21(25)13-16(15)2)14-22-8-10-23(11-9-22)20-6-4-18(5-7-20)17(3)24/h4-7,12-13,25H,8-11,14H2,1-3H3/p+1