3-(4-phenylpiperazin-1-ium-1-yl)propanethioamide

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)propanethioamide Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)propanethioamide CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)propanethioamide IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)propanethioamide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)thiopropionamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=S)N)C2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCC(=S)N)C2=CC=CC=C2

InChI

InChI=1S/C13H19N3S/c14-13(17)6-7-15-8-10-16(11-9-15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,14,17)/p+1