2-[1-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)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-(4-ethoxybenzyl)-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C31H37N8O3+ MolecularWeight: 569.67728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

InChI=1S/C31H36N8O3/c1-4-42-26-9-7-23(8-10-26)20-39(29-17-27(22(2)3)35-31(36-29)38-13-12-34-21-38)15-14-37(19-25(39)16-28(32)40)30(41)24-6-5-11-33-18-24/h5-13,17-18,21-22,25H,4,14-16,19-20H2,1-3H3,(H-,32,40)/p+1