2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-homoveratryl-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C29H33N8O4+ MolecularWeight: 557.62352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=NC(=NC=C4)N5C=CN=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=NC(=NC=C4)N5C=CN=C5)OC

InChI

InChI=1S/C29H32N8O4/c1-40-24-6-5-21(16-25(24)41-2)8-14-37(27-7-10-33-29(34-27)36-12-11-32-20-36)15-13-35(19-23(37)17-26(30)38)28(39)22-4-3-9-31-18-22/h3-7,9-12,16,18,20,23H,8,13-15,17,19H2,1-2H3,(H-,30,38)/p+1