4,5,6-trimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-1-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-nicotinonitrile Formula: C19H25N5S+2 MolecularWeight: 355.5003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C

InChI

InChI=1S/C19H23N5S/c1-14-15(2)18(12-20)19(25)24(16(14)3)13-22-8-10-23(11-9-22)17-4-6-21-7-5-17/h4-7H,8-11,13H2,1-3H3/p+2