N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H29BrN5O3+ MolecularWeight: 491.40136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C22H28BrN5O3/c1-14(2)22-24-15(3)10-20(26-22)28-6-4-27(5-7-28)13-21(29)25-17-12-19-18(11-16(17)23)30-8-9-31-19/h10-12,14H,4-9,13H2,1-3H3,(H,25,29)/p+1