N-cyclohexyl-N-methyl-2-[4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclohexyl-N-methyl-2-[4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-N-methyl-2-[4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-N-methyl-2-[4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-2-[4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C24H32N5O2S2+ MolecularWeight: 486.67318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

CN(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C24H31N5O2S2/c1-27(17-6-3-2-4-7-17)21(30)15-29-11-9-28(10-12-29)14-20-25-23(31)22-18(16-33-24(22)26-20)19-8-5-13-32-19/h5,8,13,16-17H,2-4,6-7,9-12,14-15H2,1H3,(H,25,26,31)/p+1