N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)CC5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)CC5=CC=CC=N5

InChI

InChI=1S/C25H24N4O2/c30-24(18-12-15-29(16-13-18)17-21-5-3-4-14-26-21)27-20-10-8-19(9-11-20)25-28-22-6-1-2-7-23(22)31-25/h1-11,14,18H,12-13,15-17H2,(H,27,30)/p+1