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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC(=O)N)(CCC2=CC=CC=C2)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CC[N+](C(C1)CC(=O)N)(CCC2=CC=CC=C2)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C22H26N6O/c23-20(29)16-19-8-4-5-14-28(19,15-10-18-6-2-1-3-7-18)21-9-11-25-22(26-21)27-13-12-24-17-27/h1-3,6-7,9,11-13,17,19H,4-5,8,10,14-16H2,(H-,23,29)/p+1