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

Systemtic Name: 2-[4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[5-methyl-2-(3-phenoxyphenyl)oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[5-methyl-2-(3-phenoxyphenyl)-4-oxazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[5-methyl-2-(3-phenoxyphenyl)oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5O

InChI

InChI=1S/C27H27N3O3/c1-20-24(19-29-14-16-30(17-15-29)25-12-5-6-13-26(25)31)28-27(32-20)21-8-7-11-23(18-21)33-22-9-3-2-4-10-22/h2-13,18,31H,14-17,19H2,1H3/p+1