N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-methoxyphenyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-methoxyphenyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3OS/c1-16-5-3-4-6-17(16)15-22-11-13-23(14-12-22)20(25)21-18-7-9-19(24-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,21,25)/p+1