N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-imidazol-1-yl-benzamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-imidazol-1-yl-benzamide Openeye Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-imidazol-1-yl-benzamide CAS Name: N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-4-(1-imidazolyl)benzamide IUPAC Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-imidazol-1-ylbenzamide Traditional Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-imidazol-1-yl-benzamide Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C18H19N5O/c1-22(2)17-15(4-3-9-20-17)12-21-18(24)14-5-7-16(8-6-14)23-11-10-19-13-23/h3-11,13H,12H2,1-2H3,(H,21,24)/p+1