(2-azanyl-2-oxidanylidene-ethyl) 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: (2-amino-2-oxo-ethyl) 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid (2-amino-2-keto-ethyl) ester Formula: C14H21N4OS+ MolecularWeight: 293.40774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)N

InChI

InChI=1S/C14H20N4OS/c1-17-7-9-18(10-8-17)14(20-11-13(15)19)16-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,15,19)/p+1