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

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-methylallyl)-4-(m-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methylphenyl)methyl]-N-(2-methylprop-2-enyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methylallyl)-4-(3-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C17H26N3S+ MolecularWeight: 304.47344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3S/c1-14(2)12-18-17(21)20-9-7-19(8-10-20)13-16-6-4-5-15(3)11-16/h4-6,11H,1,7-10,12-13H2,2-3H3,(H,18,21)/p+1