N-[(2S)-butan-2-yl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H32N5O+ MolecularWeight: 334.47958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCN(CC1)C2=NC(=NC(=C2)C)C(C)C

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCN(CC1)C2=NC(=NC(=C2)C)C(C)C

InChI

InChI=1S/C18H31N5O/c1-6-14(4)19-17(24)12-22-7-9-23(10-8-22)16-11-15(5)20-18(21-16)13(2)3/h11,13-14H,6-10,12H2,1-5H3,(H,19,24)/p+1/t14-/m0/s1