5-methyl-2-(4-phenylphenyl)-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 5-methyl-2-(4-phenylphenyl)-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 5-methyl-2-(4-phenylphenyl)-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]oxazole CAS Name: 5-methyl-2-(4-phenylphenyl)-4-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole IUPAC Name: 5-methyl-2-(4-phenylphenyl)-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 5-methyl-2-(4-phenylphenyl)-4-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole Formula: C26H28N5O+ MolecularWeight: 426.53342

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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+]4CCCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C3=CC=CC=C3)C[NH+]4CCCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H27N5O/c1-20-24(19-30-15-6-16-31(18-17-30)26-27-13-5-14-28-26)29-25(32-20)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-5,7-14H,6,15-19H2,1H3/p+1