(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-methyl-2-benzimidazolyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCCCC3C(=O)NC4=CN=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CCCC[C@H]3C(=O)NC4=CN=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O2/c1-30-22-12-6-5-11-21(22)29-24(30)18-31-16-8-7-13-23(31)26(32)28-19-14-15-25(27-17-19)33-20-9-3-2-4-10-20/h2-6,9-12,14-15,17,23H,7-8,13,16,18H2,1H3,(H,28,32)/p+1/t23-/m0/s1