3,3-dimethyl-8-piperazin-4-ium-1-yl-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

Systemtic Name: 3,3-dimethyl-8-piperazin-4-ium-1-yl-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile Openeye Name: 3,3-dimethyl-8-piperazin-4-ium-1-yl-6-thioxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile CAS Name: 3,3-dimethyl-8-(1-piperazin-4-iumyl)-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-piperazin-4-ium-1-yl-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile Traditional Name: 3,3-dimethyl-8-piperazin-4-ium-1-yl-6-thioxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile Formula: C15H21N4OS+ MolecularWeight: 305.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=S)NC(=C2CO1)N3CC[NH2+]CC3)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=S)NC(=C2CO1)N3CC[NH2+]CC3)C#N)C

InChI

InChI=1S/C15H20N4OS/c1-15(2)7-10-11(8-16)14(21)18-13(12(10)9-20-15)19-5-3-17-4-6-19/h17H,3-7,9H2,1-2H3,(H,18,21)/p+1