3-[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C21H29N6O2S+ MolecularWeight: 429.55896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N(C)CCC[NH+](C)C)COC

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N(C)CCC[NH+](C)C)COC

InChI

InChI=1S/C21H28N6O2S/c1-15-12-22-21(24-19(15)18-8-6-11-30-18)27-17(14-29-5)16(13-23-27)20(28)26(4)10-7-9-25(2)3/h6,8,11-13H,7,9-10,14H2,1-5H3/p+1