[[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]amino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=C2C=CC=NC2=S)[O-])CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=C2C=CC=NC2=S)[O-])CC(=O)N

InChI

InChI=1S/C13H18N4O2S/c14-11(18)8-17-6-3-9(4-7-17)16-12(19)10-2-1-5-15-13(10)20/h1-2,5,9,16,19H,3-4,6-8H2,(H2,14,18)