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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3,4-dimethoxyphenyl)methyl]-4-octylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3,4-dimethoxyphenyl)methyl]-4-octylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3,4-dimethoxyphenyl)methyl]-4-octylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3,4-dimethoxyphenyl)methyl]-4-octylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-octylsulfonyl-1-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C30H43ClN7O5S+ MolecularWeight: 649.22432

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)OC)OC)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)OC)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C30H42ClN7O5S/c1-4-5-6-7-8-9-16-44(40,41)37-14-15-38(24(20-37)18-28(32)39,21-23-10-11-25(42-2)26(17-23)43-3)29-19-27(31)34-30(35-29)36-13-12-33-22-36/h10-13,17,19,22,24H,4-9,14-16,18,20-21H2,1-3H3,(H-,32,39)/p+1