5-methyl-2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 5-methyl-2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-5-methyl-2-(o-tolyl)oxazole CAS Name: 5-methyl-2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-5-methyl-2-(o-tolyl)oxazole Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O/c1-20-9-6-7-13-23(20)25-26-24(21(2)29-25)19-28-17-15-27(16-18-28)14-8-12-22-10-4-3-5-11-22/h3-13H,14-19H2,1-2H3/p+1/b12-8+