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

Systemtic Name: (2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O/c1-3-5-19-16(22)13(2)20-7-9-21(10-8-20)15-11-14(12-17)4-6-18-15/h3-4,6,11,13H,1,5,7-10H2,2H3,(H,19,22)/p+1/t13-/m0/s1