2-(diphenylmethyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(diphenylmethyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-benzhydrylsulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[(diphenylmethyl)thio]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-benzhydrylsulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(benzhydrylthio)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C24H26N3OS+ MolecularWeight: 404.54774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3OS/c28-23(27-17-15-26(16-18-27)22-11-13-25-14-12-22)19-29-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-19H2/p+1