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

Systemtic Name: 4-[(2-methylphenyl)methyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-methylphenyl)methyl]-N-prop-2-enyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-methylphenyl)methyl]-N-prop-2-enylpiperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-(2-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3S/c1-3-8-17-16(20)19-11-9-18(10-12-19)13-15-7-5-4-6-14(15)2/h3-7H,1,8-13H2,2H3,(H,17,20)/p+1