2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-benzyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-benzyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-benzyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C20H23ClN7O+ MolecularWeight: 412.89592

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1)CC(=O)N)(CC2=CC=CC=C2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

C1C[N+](C(CN1)CC(=O)N)(CC2=CC=CC=C2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C20H22ClN7O/c21-17-11-19(26-20(25-17)27-8-6-24-14-27)28(13-15-4-2-1-3-5-15)9-7-23-12-16(28)10-18(22)29/h1-6,8,11,14,16,23H,7,9-10,12-13H2,(H-,22,29)/p+1