N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-2-methyl-1-p-cumenyl-propyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O/c1-17(2)19-6-8-20(9-7-19)22(18(3)4)26-21(29)16-27-12-14-28(15-13-27)23-24-10-5-11-25-23/h5-11,17-18,22H,12-16H2,1-4H3,(H,26,29)/p+1/t22-/m0/s1