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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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