(2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: (2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-propanamide Openeye Name: (2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-propanamide CAS Name: (2S)-N-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-2-(1-pyrazolyl)propanamide IUPAC Name: (2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-ylpropanamide Traditional Name: (2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-propionamide Formula: C16H24N5O+ MolecularWeight: 302.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C(C)N2C=CC=N2

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)[C@H](C)N2C=CC=N2

InChI

InChI=1S/C16H23N5O/c1-4-20(5-2)15-14(8-6-9-17-15)12-18-16(22)13(3)21-11-7-10-19-21/h6-11,13H,4-5,12H2,1-3H3,(H,18,22)/p+1/t13-/m0/s1