N-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C19H23ClN3OS+ MolecularWeight: 376.92342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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