[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-(2-thioxo-3-pyridylidene)methanolate Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=C2C=CC=NC2=S)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=C2C=CC=NC2=S)[O-]

InChI

InChI=1S/C16H24N4O2S/c1-16(2,3)18-13(21)11-19-7-9-20(10-8-19)15(22)12-5-4-6-17-14(12)23/h4-6,22H,7-11H2,1-3H3,(H,18,21)