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

Systemtic Name: N-[3-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]propyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Openeye Name: N-[3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide CAS Name: N-[3-[(3S)-3-hydroxy-1-piperidin-1-iumyl]propyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide IUPAC Name: N-[3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Traditional Name: N-[3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C24H29N3O3/c28-20-8-4-14-27(17-20)15-5-13-25-24(29)19-10-11-22-21(16-19)26-23(30-22)12-9-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,20,28H,4-5,8-9,12-15,17H2,(H,25,29)/p+1/t20-/m0/s1