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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-ethanoyl-1-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-m-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C23H27ClN7O3+ MolecularWeight: 484.95858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=CC=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=CC=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C23H26ClN7O3/c1-16(32)29-8-9-31(18(13-29)11-21(25)33,14-17-4-3-5-19(10-17)34-2)22-12-20(24)27-23(28-22)30-7-6-26-15-30/h3-7,10,12,15,18H,8-9,11,13-14H2,1-2H3,(H-,25,33)/p+1