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

Systemtic Name: (2S)-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-1-methyl-azepan-1-ium-2-carboxamide Openeye Name: (2S)-N-[(2-imidazol-1-yl-3-pyridyl)methyl]-1-methyl-azepan-1-ium-2-carboxamide CAS Name: (2S)-N-[[2-(1-imidazolyl)-3-pyridinyl]methyl]-1-methyl-2-azepan-1-iumcarboxamide IUPAC Name: (2S)-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-1-methylazepan-1-ium-2-carboxamide Traditional Name: (2S)-N-[(2-imidazol-1-yl-3-pyridyl)methyl]-1-methyl-azepan-1-ium-2-carboxamide Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCCC1C(=O)NCC2=C(N=CC=C2)N3C=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O/c1-21-10-4-2-3-7-15(21)17(23)20-12-14-6-5-8-19-16(14)22-11-9-18-13-22/h5-6,8-9,11,13,15H,2-4,7,10,12H2,1H3,(H,20,23)/p+1/t15-/m0/s1