2-[1-butyl-1-[(2,3-dimethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-butyl-1-[(2,3-dimethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-butyl-1-[(2,3-dimethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-butyl-1-[(2,3-dimethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-butyl-1-[(2,3-dimethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-butyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-o-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C26H36N7O3+ MolecularWeight: 494.60914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N7O3/c1-4-5-14-33(18-20-7-6-8-22(35-2)25(20)36-3)15-13-31(17-21(33)16-23(27)34)24-9-10-29-26(30-24)32-12-11-28-19-32/h6-12,19,21H,4-5,13-18H2,1-3H3,(H-,27,34)/p+1