(2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-propyl-propionamide Formula: C16H24N5O+ MolecularWeight: 302.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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