N-[(2S)-butan-2-yl]-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(5-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(5-cyano-2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(5-cyanopyridin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(5-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C16H24N5O+ MolecularWeight: 302.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O/c1-3-13(2)19-16(22)12-20-6-8-21(9-7-20)15-5-4-14(10-17)11-18-15/h4-5,11,13H,3,6-9,12H2,1-2H3,(H,19,22)/p+1/t13-/m0/s1