(2S)-N-[[2-(benzimidazol-1-yl)pyridin-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[[2-(benzimidazol-1-yl)pyridin-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridyl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-[[2-(1-benzimidazolyl)-3-pyridinyl]methyl]-1-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-[[2-(benzimidazol-1-yl)pyridin-3-yl]methyl]-1-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[[2-(benzimidazol-1-yl)-3-pyridyl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)NCC2=C(N=CC=C2)N3C=NC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCCC[C@H]1C(=O)NCC2=C(N=CC=C2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H23N5O/c1-24-12-5-4-10-18(24)20(26)22-13-15-7-6-11-21-19(15)25-14-23-16-8-2-3-9-17(16)25/h2-3,6-9,11,14,18H,4-5,10,12-13H2,1H3,(H,22,26)/p+1/t18-/m0/s1