(2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propionamide Formula: C22H23N6O+ MolecularWeight: 387.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C22H22N6O/c1-16(22(29)26-20-6-2-5-19-18(20)4-3-8-24-19)27-10-12-28(13-11-27)21-14-17(15-23)7-9-25-21/h2-9,14,16H,10-13H2,1H3,(H,26,29)/p+1/t16-/m0/s1