[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-(4-methoxyphenyl)oxazol-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[5-(4-methoxyphenyl)-4-oxazolyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-(4-methoxyphenyl)oxazol-4-yl]methanone Formula: C28H28N3O3+ MolecularWeight: 454.54022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=CO2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=CO2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c1-33-24-14-12-23(13-15-24)27-25(29-20-34-27)28(32)31-18-16-30(17-19-31)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,26H,16-19H2,1H3/p+1