N-(4-bromanyl-2-chloranyl-phenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-m-anisyl-piperazin-4-ium-1-carbothioamide Formula: C19H22BrClN3OS+ MolecularWeight: 455.81948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H21BrClN3OS/c1-25-16-4-2-3-14(11-16)13-23-7-9-24(10-8-23)19(26)22-18-6-5-15(20)12-17(18)21/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)/p+1