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

Systemtic Name: 2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3-chloro-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3-chloro-4-methoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-methyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(3-chloro-4-methoxy-benzyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-piperazin-1-ium-2-yl]acetamide Formula: C23H29ClN7O2+ MolecularWeight: 470.97506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(C)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(C)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C23H28ClN7O2/c1-16-10-22(28-23(27-16)30-7-6-26-15-30)29-8-9-31(2,18(13-29)12-21(25)32)14-17-4-5-20(33-3)19(24)11-17/h4-7,10-11,15,18H,8-9,12-14H2,1-3H3,(H-,25,32)/p+1