[2-(phenylmethylsulfanyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(phenylmethylsulfanyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-benzylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(phenylmethylthio)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-benzylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(benzylthio)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H24N3OS+ MolecularWeight: 390.52116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3OS/c27-23(26-16-14-25(15-17-26)22-12-6-7-13-24-22)20-10-4-5-11-21(20)28-18-19-8-2-1-3-9-19/h1-13H,14-18H2/p+1