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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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