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

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-phenylbutyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-phenylbutyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(1-phenylbutyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-phenylbutyl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-phenylbutyl)piperidin-1-ium-2-yl]acetamide Formula: C24H31N6O+ MolecularWeight: 419.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O/c1-2-8-21(19-9-4-3-5-10-19)30(16-7-6-11-20(30)17-22(25)31)23-12-13-27-24(28-23)29-15-14-26-18-29/h3-5,9-10,12-15,18,20-21H,2,6-8,11,16-17H2,1H3,(H-,25,31)/p+1