(2R)-N-(2-bromanyl-4-methyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-bromanyl-4-methyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-bromo-4-methyl-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-bromo-4-methyl-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propionamide Formula: C22H31BrN5O+ MolecularWeight: 461.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)Br

InChI

InChI=1S/C22H30BrN5O/c1-14(2)21-24-16(4)13-20(26-21)28-10-8-27(9-11-28)17(5)22(29)25-19-7-6-15(3)12-18(19)23/h6-7,12-14,17H,8-11H2,1-5H3,(H,25,29)/p+1/t17-/m1/s1