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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(2-thenyl)piperazin-1-ium-2-yl]acetamide Formula: C18H21ClN7OS+ MolecularWeight: 418.92364

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1)CC(=O)N)(CC2=CC=CS2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

C1C[N+](C(CN1)CC(=O)N)(CC2=CC=CS2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C18H20ClN7OS/c19-15-9-17(24-18(23-15)25-5-3-22-12-25)26(11-14-2-1-7-28-14)6-4-21-10-13(26)8-16(20)27/h1-3,5,7,9,12-13,21H,4,6,8,10-11H2,(H-,20,27)/p+1