3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(2-furyl)isoxazole CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)isoxazole IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(furan-2-yl)-1,2-oxazole Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(2-furyl)isoxazole Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O2/c1-3-8-20(9-4-1)25(21-10-5-2-6-11-21)28-15-13-27(14-16-28)19-22-18-24(30-26-22)23-12-7-17-29-23/h1-12,17-18,25H,13-16,19H2/p+1