(5Z)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-(phenylmethylidene)-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-(phenylmethylidene)-1,3-thiazol-4-one Openeye Name: (5Z)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-benzylidene-thiazol-4-one CAS Name: (5Z)-2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-(phenylmethylene)-4-thiazolone IUPAC Name: (5Z)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-benzylidene-1,3-thiazol-4-one Traditional Name: (5Z)-5-benzal-2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C27H26N3OS+ MolecularWeight: 440.57984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=O)C(=CC5=CC=CC=C5)S4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=O)/C(=C/C5=CC=CC=C5)/S4

InChI

InChI=1S/C27H25N3OS/c31-26-24(20-21-10-4-1-5-11-21)32-27(28-26)30-18-16-29(17-19-30)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20,25H,16-19H2/p+1/b24-20-