(2R)-N-(3-cyanophenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propionamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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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=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O/c1-15(2)21-24-16(3)12-20(26-21)28-10-8-27(9-11-28)17(4)22(29)25-19-7-5-6-18(13-19)14-23/h5-7,12-13,15,17H,8-11H2,1-4H3,(H,25,29)/p+1/t17-/m1/s1