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

Systemtic Name: 2-[4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=CC=CC=C4O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=CC=CC=C4O)OC

InChI

InChI=1S/C23H27N3O3/c1-16-14-18(8-9-22(16)28-3)23-24-19(17(2)29-23)15-25-10-12-26(13-11-25)20-6-4-5-7-21(20)27/h4-9,14,27H,10-13,15H2,1-3H3/p+1