N-[3-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[3-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide Openeye Name: N-[3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide CAS Name: N-[3-[(3S)-3-hydroxy-1-piperidin-1-iumyl]propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide IUPAC Name: N-[3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide Traditional Name: N-[3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4)O

InChI

InChI=1S/C25H31N3O3/c29-21-10-5-15-28(18-21)16-6-14-26-25(30)20-12-13-23-22(17-20)27-24(31-23)11-4-9-19-7-2-1-3-8-19/h1-3,7-8,12-13,17,21,29H,4-6,9-11,14-16,18H2,(H,26,30)/p+1/t21-/m0/s1