N-(3-methylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(m-tolyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methylphenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(m-tolyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C15H24N3S+ MolecularWeight: 278.43616

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NC2=CC=CC(=C2)C

InChI

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