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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C(=O)NCC2=C(N=CC=C2)N3C=NC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C(=O)NCC2=C(N=CC=C2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H23N5O/c1-24-11-5-7-16(13-24)20(26)22-12-15-6-4-10-21-19(15)25-14-23-17-8-2-3-9-18(17)25/h2-4,6,8-10,14,16H,5,7,11-13H2,1H3,(H,22,26)/p+1/t16-/m0/s1