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

Systemtic Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 5-methyl-2-(3-phenoxyphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C26H28N4O2+2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H26N4O2/c1-20-24(19-29-14-16-30(17-15-29)25-12-5-6-13-27-25)28-26(31-20)21-8-7-11-23(18-21)32-22-9-3-2-4-10-22/h2-13,18H,14-17,19H2,1H3/p+2