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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-benzyl-piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-benzylpiperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-benzyl-piperidin-1-ium-4-carboxamide Formula: C26H26N3O2+ MolecularWeight: 412.50354

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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=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2/c30-25(20-14-16-29(17-15-20)18-19-6-2-1-3-7-19)27-22-12-10-21(11-13-22)26-28-23-8-4-5-9-24(23)31-26/h1-13,20H,14-18H2,(H,27,30)/p+1