N-(3-methoxyphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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