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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-salicyl-piperidin-1-ium-4-carboxamide Formula: C26H26N3O3+ MolecularWeight: 428.50294

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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=C5O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)CC5=CC=CC=C5O

InChI

InChI=1S/C26H25N3O3/c30-23-7-3-1-5-20(23)17-29-15-13-18(14-16-29)25(31)27-21-11-9-19(10-12-21)26-28-22-6-2-4-8-24(22)32-26/h1-12,18,30H,13-17H2,(H,27,31)/p+1