2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-nicotinoyl-1-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C31H37N8O4+ MolecularWeight: 585.67668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C4=CN=CC=C4)CC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C4=CN=CC=C4)CC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C31H36N8O4/c1-21(2)25-16-29(36-31(35-25)38-11-10-34-20-38)39(19-22-7-8-26(42-3)27(14-22)43-4)13-12-37(18-24(39)15-28(32)40)30(41)23-6-5-9-33-17-23/h5-11,14,16-17,20-21,24H,12-13,15,18-19H2,1-4H3,(H-,32,40)/p+1