(4-methylphenyl)-[4-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazol-5-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazol-5-yl]methanone Openeye Name: [2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-thiazol-5-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-phenyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-thiazolyl]methanone IUPAC Name: [2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-methylphenyl)methanone Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-thiazol-5-yl]-(p-tolyl)methanone Formula: C28H28N3OS+ MolecularWeight: 454.60642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3OS/c1-21-12-14-24(15-13-21)26(32)27-25(23-10-6-3-7-11-23)29-28(33-27)31-18-16-30(17-19-31)20-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3/p+1