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

Systemtic Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]-1-octylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]-1-octylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(3-methoxyphenyl)methyl]-1-octylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]-1-octylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-m-anisyl-1-octylsulfonyl-piperazin-1-ium-2-yl]acetamide Formula: C30H44N7O4S+ MolecularWeight: 598.77986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C30H43N7O4S/c1-4-5-6-7-8-9-17-42(39,40)37(22-25-11-10-12-27(19-25)41-3)16-15-35(21-26(37)20-28(31)38)29-18-24(2)33-30(34-29)36-14-13-32-23-36/h10-14,18-19,23,26H,4-9,15-17,20-22H2,1-3H3,(H-,31,38)/p+1