2-(4-methoxy-2,3-dimethyl-phenyl)-5-methyl-4-[(4-quinazolin-4-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(4-methoxy-2,3-dimethyl-phenyl)-5-methyl-4-[(4-quinazolin-4-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(4-methoxy-2,3-dimethyl-phenyl)-5-methyl-4-[(4-quinazolin-4-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[4-(4-quinazolinyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-quinazolin-4-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(4-methoxy-2,3-dimethyl-phenyl)-5-methyl-4-[(4-quinazolin-4-ylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C26H30N5O2+ MolecularWeight: 444.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC=NC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C26H29N5O2/c1-17-18(2)24(32-4)10-9-20(17)26-29-23(19(3)33-26)15-30-11-13-31(14-12-30)25-21-7-5-6-8-22(21)27-16-28-25/h5-10,16H,11-15H2,1-4H3/p+1