4,6-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-1-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-nicotinonitrile Formula: C18H23N5S+2 MolecularWeight: 341.47372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C#N)C

InChI

InChI=1S/C18H21N5S/c1-14-11-15(2)23(18(24)17(14)12-19)13-21-7-9-22(10-8-21)16-3-5-20-6-4-16/h3-6,11H,7-10,13H2,1-2H3/p+2