2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-thiophen-2-ylethyl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-thiophen-2-ylethyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[2-(2-thienyl)ethyl]piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(2-thiophen-2-ylethyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(2-thiophen-2-ylethyl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[2-(2-thienyl)ethyl]piperidin-1-ium-2-yl]acetamide Formula: C21H27N6OS+ MolecularWeight: 411.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CCC4=CC=CS4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CCC4=CC=CS4

InChI

InChI=1S/C21H26N6OS/c1-16-13-20(25-21(24-16)26-9-8-23-15-26)27(11-7-18-6-4-12-29-18)10-3-2-5-17(27)14-19(22)28/h4,6,8-9,12-13,15,17H,2-3,5,7,10-11,14H2,1H3,(H-,22,28)/p+1