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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NCC2=C(N=CC=C2)N3C=CN=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NCC2=C(N=CC=C2)N3C=CN=C3

InChI

InChI=1S/C17H23N5O/c23-16(13-21-9-3-1-2-4-10-21)20-12-15-6-5-7-19-17(15)22-11-8-18-14-22/h5-8,11,14H,1-4,9-10,12-13H2,(H,20,23)/p+1