N-(3-methylphenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(m-tolyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-(2-phenoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methylphenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(m-tolyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-17-6-5-7-18(16-17)21-20(25)23-12-10-22(11-13-23)14-15-24-19-8-3-2-4-9-19/h2-9,16H,10-15H2,1H3,(H,21,25)/p+1