[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-methyl-2-(2-pyridyl)thiazol-5-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[4-methyl-2-(2-pyridinyl)-5-thiazolyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-methyl-2-(2-pyridyl)thiazol-5-yl]methanone Formula: C27H27N4OS+ MolecularWeight: 455.59448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4OS/c1-20-25(33-26(29-20)23-14-8-9-15-28-23)27(32)31-18-16-30(17-19-31)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24H,16-19H2,1H3/p+1