[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(methylthio)phenyl]methanone Formula: C25H27N2OS+ MolecularWeight: 403.55968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2OS/c1-29-23-15-9-8-14-22(23)25(28)27-18-16-26(17-19-27)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3/p+1