N-(2,5-diethoxyphenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-diethoxyphenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-diethoxyphenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-diethoxyphenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-diethoxyphenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C24H36N5O3+ MolecularWeight: 442.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C24H35N5O3/c1-6-31-19-8-9-21(32-7-2)20(15-19)26-23(30)16-28-10-12-29(13-11-28)22-14-18(5)25-24(27-22)17(3)4/h8-9,14-15,17H,6-7,10-13,16H2,1-5H3,(H,26,30)/p+1