(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-N-mesityl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C20H27N5O/c1-14-12-15(2)18(16(3)13-14)23-19(26)17(4)24-8-10-25(11-9-24)20-21-6-5-7-22-20/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,26)/p+1/t17-/m0/s1