2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3-chloro-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3-chloro-4-methoxyphenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(3-chloro-4-methoxy-benzyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C22H26ClN6O2+ MolecularWeight: 441.93384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)Cl

InChI

InChI=1S/C22H25ClN6O2/c1-31-19-6-5-16(12-18(19)23)14-29(11-3-2-4-17(29)13-20(24)30)21-7-8-26-22(27-21)28-10-9-25-15-28/h5-10,12,15,17H,2-4,11,13-14H2,1H3,(H-,24,30)/p+1