(2S)-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-1-methyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-1-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[(2-imidazol-1-yl-3-pyridyl)methyl]-1-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-[[2-(1-imidazolyl)-3-pyridinyl]methyl]-1-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-1-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[(2-imidazol-1-yl-3-pyridyl)methyl]-1-methyl-piperidin-1-ium-2-carboxamide Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)NCC2=C(N=CC=C2)N3C=CN=C3

Isomeric SMILES

C[NH+]1CCCC[C@H]1C(=O)NCC2=C(N=CC=C2)N3C=CN=C3

InChI

InChI=1S/C16H21N5O/c1-20-9-3-2-6-14(20)16(22)19-11-13-5-4-7-18-15(13)21-10-8-17-12-21/h4-5,7-8,10,12,14H,2-3,6,9,11H2,1H3,(H,19,22)/p+1/t14-/m0/s1