(4-methylpiperazin-4-ium-1-yl)-(2-phenylsulfanylphenyl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(2-phenylsulfanylphenyl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(2-phenylsulfanylphenyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(phenylthio)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(2-phenylsulfanylphenyl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-(phenylthio)phenyl]methanone Formula: C18H21N2OS+ MolecularWeight: 313.43714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C18H20N2OS/c1-19-11-13-20(14-12-19)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/p+1