N-(5-chloranyl-2-methoxy-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(5-chloro-2-methoxy-phenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(5-chloro-2-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(5-chloro-2-methoxy-phenyl)piperazin-4-ium-1-carbothioamide Formula: C19H23ClN3OS+ MolecularWeight: 376.92342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22ClN3OS/c1-24-18-8-7-16(20)13-17(18)21-19(25)23-11-9-22(10-12-23)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25)/p+1