N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide

Systemtic Name: N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide CAS Name: N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-1H-imidazole-5-carboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CN=CN3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CN=CN3

InChI

InChI=1S/C18H19N5O/c1-23(12-14-6-3-2-4-7-14)17-15(8-5-9-20-17)10-21-18(24)16-11-19-13-22-16/h2-9,11,13H,10,12H2,1H3,(H,19,22)(H,21,24)/p+1