N-(4-chlorophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-(2-phenoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C19H23ClN3OS+ MolecularWeight: 376.92342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3OS/c20-16-6-8-17(9-7-16)21-19(25)23-12-10-22(11-13-23)14-15-24-18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,25)/p+1