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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-m-anisyl-piperazin-4-ium-1-carbothioamide Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3OS/c1-25-19-4-2-3-17(13-19)15-23-9-11-24(12-10-23)20(26)22-14-16-5-7-18(21)8-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,26)/p+1