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

Systemtic Name: 4-[(2-methylphenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(o-tolylmethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-methylphenyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-methylphenyl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-methylbenzyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3S/c1-18-7-5-6-10-20(18)17-23-13-15-24(16-14-23)21(25)22-12-11-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25)/p+1