2-[[5-[[4-ethyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-[[4-ethyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-[[4-ethyl-6-[(2S)-2-methyl-1-piperidyl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-[[[4-ethyl-6-[(2S)-2-methyl-1-piperidinyl]-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-[[4-ethyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-[[[4-ethyl-6-[(2S)-2-methylpiperidino]pyrimidin-2-yl]thio]methyl]-2-furoyl]amino]ethyl-dimethyl-ammonium Formula: C22H34N5O2S+ MolecularWeight: 432.60266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC[NH+](C)C)N3CCCCC3C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC[NH+](C)C)N3CCCC[C@@H]3C

InChI

InChI=1S/C22H33N5O2S/c1-5-17-14-20(27-12-7-6-8-16(27)2)25-22(24-17)30-15-18-9-10-19(29-18)21(28)23-11-13-26(3)4/h9-10,14,16H,5-8,11-13,15H2,1-4H3,(H,23,28)/p+1/t16-/m0/s1