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

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(m-tolylmethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methylphenyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-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=C1)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

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