3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanethioamide

Systemtic Name: 3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanethioamide Openeye Name: 3-[4-(m-tolyl)piperazin-1-ium-1-yl]propanethioamide CAS Name: 3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propanethioamide IUPAC Name: 3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanethioamide Traditional Name: 3-[4-(m-tolyl)piperazin-1-ium-1-yl]thiopropionamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(=S)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(=S)N

InChI

InChI=1S/C14H21N3S/c1-12-3-2-4-13(11-12)17-9-7-16(8-10-17)6-5-14(15)18/h2-4,11H,5-10H2,1H3,(H2,15,18)/p+1