[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=C3C=CC=NC3=S)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=C3C=CC=NC3=S)[O-]

InChI

InChI=1S/C16H19N5OS/c1-20-7-9-21(10-8-20)14-5-4-12(11-18-14)19-15(22)13-3-2-6-17-16(13)23/h2-6,11,19,22H,7-10H2,1H3