ethyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C19H27N6O2S+ MolecularWeight: 403.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H26N6O2S/c1-2-23(14-17(26)22-13-16-5-3-12-28-16)15-18(27)24-8-10-25(11-9-24)19-20-6-4-7-21-19/h3-7,12H,2,8-11,13-15H2,1H3,(H,22,26)/p+1