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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-phenyl-thiazole CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-2-phenylthiazole IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-phenyl-thiazole Formula: C27H28N3S+ MolecularWeight: 426.59632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3S/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23)30-18-16-29(17-19-30)20-25-21-31-27(28-25)24-14-8-3-9-15-24/h1-15,21,26H,16-20H2/p+1