4-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[5-methyl-2-(4-phenylphenyl)oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[5-methyl-2-(4-phenylphenyl)-4-oxazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[[5-methyl-2-(4-phenylphenyl)oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H27N3O2/c1-20-26(19-29-15-17-30(18-16-29)24-11-13-25(31)14-12-24)28-27(32-20)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-14,31H,15-19H2,1H3/p+1