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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonyl-piperazin-1-ium-2-yl]acetamide Formula: C30H43ClN7O4S+ MolecularWeight: 633.22492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CC[N+](C(C1)CC(=O)N)(C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(C)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CC[N+](C(C1)CC(=O)N)(C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C30H42ClN7O4S/c1-4-5-6-7-8-9-17-43(40,41)37-15-16-38(25(21-37)19-28(32)39,23(2)24-11-10-12-26(18-24)42-3)29-20-27(31)34-30(35-29)36-14-13-33-22-36/h10-14,18,20,22-23,25H,4-9,15-17,19,21H2,1-3H3,(H-,32,39)/p+1