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

Systemtic Name: N-ethyl-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-ethyl-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-ethyl-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-ethyl-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-ethyl-4-(2-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C15H24N3S+ MolecularWeight: 278.43616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2C

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2C

InChI

InChI=1S/C15H23N3S/c1-3-16-15(19)18-10-8-17(9-11-18)12-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3,(H,16,19)/p+1