2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(4-methoxyphenyl)thiazole CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-(4-methoxyphenyl)thiazole IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(4-methoxyphenyl)thiazole Formula: C27H28N3OS+ MolecularWeight: 442.59572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3OS/c1-31-24-14-12-21(13-15-24)25-20-32-27(28-25)30-18-16-29(17-19-30)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20,26H,16-19H2,1H3/p+1