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

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-octylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-octylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-octylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-octylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-homoveratryl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-octylsulfonyl-piperazin-1-ium-2-yl]acetamide Formula: C32H48N7O5S+ MolecularWeight: 642.83242

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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)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H47N7O5S/c1-5-6-7-8-9-10-19-45(41,42)39(17-13-26-11-12-28(43-3)29(21-26)44-4)18-16-37(23-27(39)22-30(33)40)31-20-25(2)35-32(36-31)38-15-14-34-24-38/h11-12,14-15,20-21,24,27H,5-10,13,16-19,22-23H2,1-4H3,(H-,33,40)/p+1