2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-phenylethyl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-phenylethyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-phenylethyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(1-phenylethyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-phenylethyl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-phenylethyl)piperidin-1-ium-2-yl]acetamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CC(C1=CC=CC=C1)[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C22H26N6O/c1-17(18-7-3-2-4-8-18)28(14-6-5-9-19(28)15-20(23)29)21-10-11-25-22(26-21)27-13-12-24-16-27/h2-4,7-8,10-13,16-17,19H,5-6,9,14-15H2,1H3,(H-,23,29)/p+1