2-[4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[2-(2,4-dimethylphenyl)-4-oxazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

InChI

InChI=1S/C22H25N3O2/c1-16-7-8-19(17(2)13-16)22-23-18(15-27-22)14-24-9-11-25(12-10-24)20-5-3-4-6-21(20)26/h3-8,13,15,26H,9-12,14H2,1-2H3/p+1