(2S)-N-(4-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-propan-2-ylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-p-cumenyl-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:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O/c1-15(2)17-5-7-18(8-6-17)23-19(26)16(3)24-11-13-25(14-12-24)20-21-9-4-10-22-20/h4-10,15-16H,11-14H2,1-3H3,(H,23,26)/p+1/t16-/m0/s1