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

Systemtic Name: 5-methyl-2-(4-phenylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 5-methyl-2-(4-phenylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 5-methyl-2-(4-phenylphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(4-phenylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 5-methyl-2-(4-phenylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C26H28N4O+2 MolecularWeight: 412.52672

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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+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H26N4O/c1-20-24(19-29-15-17-30(18-16-29)25-9-5-6-14-27-25)28-26(31-20)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3/p+2