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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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