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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methylphenyl)methyl]-4-octylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-octylsulfonyl-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methylphenyl)methyl]-4-octylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]-4-octylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(4-methylbenzyl)-4-octylsulfonyl-piperazin-1-ium-2-yl]acetamide Formula: C29H41ClN7O3S+ MolecularWeight: 603.19894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40ClN7O3S/c1-3-4-5-6-7-8-17-41(39,40)36-15-16-37(25(20-36)18-27(31)38,21-24-11-9-23(2)10-12-24)28-19-26(30)33-29(34-28)35-14-13-32-22-35/h9-14,19,22,25H,3-8,15-18,20-21H2,1-2H3,(H-,31,38)/p+1