2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3-chloro-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3-chloro-4-methoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(3-chloro-4-methoxy-benzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C23H28ClN6O2+ MolecularWeight: 455.96042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C23H27ClN6O2/c1-16-11-22(28-23(27-16)29-9-8-26-15-29)30(10-4-3-5-18(30)13-21(25)31)14-17-6-7-20(32-2)19(24)12-17/h6-9,11-12,15,18H,3-5,10,13-14H2,1-2H3,(H-,25,31)/p+1