[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(methylthio)-3-pyridyl]methanone Formula: C24H26N3OS+ MolecularWeight: 404.54774

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3OS/c1-29-23-21(13-8-14-25-23)24(28)27-17-15-26(16-18-27)22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,22H,15-18H2,1H3/p+1