3-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2,1-benzoxazole-5-carboxamide

Systemtic Name: 3-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2,1-benzoxazole-5-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide CAS Name: 3-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2,1-benzoxazole-5-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-phenyl-anthranil-5-carboxamide Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

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