2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[3-(3,4-dimethoxyphenyl)-1-pyridin-3-yl-propyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[3-(3,4-dimethoxyphenyl)-1-pyridin-3-yl-propyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[3-(3,4-dimethoxyphenyl)-1-(3-pyridyl)propyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[3-(3,4-dimethoxyphenyl)-1-(3-pyridinyl)propyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[3-(3,4-dimethoxyphenyl)-1-pyridin-3-ylpropyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[3-(3,4-dimethoxyphenyl)-1-(3-pyridyl)propyl]piperazin-1-ium-2-yl]acetamide Formula: C29H34ClN8O3+ MolecularWeight: 578.08506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(C2=CN=CC=C2)[N+]3(CCNCC3CC(=O)N)C4=CC(=NC(=N4)N5C=CN=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(C2=CN=CC=C2)[N+]3(CCNCC3CC(=O)N)C4=CC(=NC(=N4)N5C=CN=C5)Cl)OC

InChI

InChI=1S/C29H33ClN8O3/c1-40-24-8-6-20(14-25(24)41-2)5-7-23(21-4-3-9-32-17-21)38(13-11-33-18-22(38)15-27(31)39)28-16-26(30)35-29(36-28)37-12-10-34-19-37/h3-4,6,8-10,12,14,16-17,19,22-23,33H,5,7,11,13,15,18H2,1-2H3,(H-,31,39)/p+1