1-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Systemtic Name: 1-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-(3-chlorophenyl)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-imidazolethione IUPAC Name: 1-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C20H22ClN4S+ MolecularWeight: 385.93348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=CN(C2=S)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=CN(C2=S)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4S/c21-17-5-4-8-19(15-17)25-14-13-24(20(25)26)16-22-9-11-23(12-10-22)18-6-2-1-3-7-18/h1-8,13-15H,9-12,16H2/p+1