4-azanylidene-6-[(4-fluorophenyl)methyl]-1,1,3-trimethyl-6-(oxan-2-ylmethylamino)-2-sulfanylidene-1,3-diazinan-1-ium-5-carbonitrile

Systemtic Name: 4-azanylidene-6-[(4-fluorophenyl)methyl]-1,1,3-trimethyl-6-(oxan-2-ylmethylamino)-2-sulfanylidene-1,3-diazinan-1-ium-5-carbonitrile Openeye Name: 6-[(4-fluorophenyl)methyl]-4-imino-1,1,3-trimethyl-6-(tetrahydropyran-2-ylmethylamino)-2-thioxo-hexahydropyrimidin-1-ium-5-carbonitrile CAS Name: 6-[(4-fluorophenyl)methyl]-4-imino-1,1,3-trimethyl-6-(2-oxanylmethylamino)-2-sulfanylidene-1,3-diazinan-1-ium-5-carbonitrile IUPAC Name: 6-[(4-fluorophenyl)methyl]-4-imino-1,1,3-trimethyl-6-(oxan-2-ylmethylamino)-2-sulfanylidene-1,3-diazinan-1-ium-5-carbonitrile Traditional Name: 6-(4-fluorobenzyl)-4-imino-1,1,3-trimethyl-6-(tetrahydropyran-2-ylmethylamino)-2-thioxo-hexahydropyrimidin-1-ium-5-carbonitrile Formula: C21H29FN5OS+ MolecularWeight: 418.551263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=N)C(C([N+](C1=S)(C)C)(CC2=CC=C(C=C2)F)NCC3CCCCO3)C#N

Isomeric SMILES

CN1C(=N)C(C([N+](C1=S)(C)C)(CC2=CC=C(C=C2)F)NCC3CCCCO3)C#N

InChI

InChI=1S/C21H29FN5OS/c1-26-19(24)18(13-23)21(27(2,3)20(26)29,12-15-7-9-16(22)10-8-15)25-14-17-6-4-5-11-28-17/h7-10,17-18,24-25H,4-6,11-12,14H2,1-3H3/q+1