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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-methylbenzyl)-N-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3OS/c1-17-5-3-4-6-19(17)16-23-11-13-24(14-12-23)21(26)22-15-18-7-9-20(25-2)10-8-18/h3-10H,11-16H2,1-2H3,(H,22,26)/p+1