N-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-4-m-anisyl-piperazin-4-ium-1-carbothioamide Formula: C19H22Cl2N3OS+ MolecularWeight: 411.36848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2N3OS/c1-25-16-4-2-3-14(11-16)13-23-7-9-24(10-8-23)19(26)22-15-5-6-17(20)18(21)12-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)/p+1