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

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propionamide Formula: C21H29BrN5O+ MolecularWeight: 447.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H28BrN5O/c1-14(2)20-23-15(3)13-19(25-20)27-11-9-26(10-12-27)16(4)21(28)24-18-7-5-17(22)6-8-18/h5-8,13-14,16H,9-12H2,1-4H3,(H,24,28)/p+1/t16-/m1/s1