N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxamide Openeye Name: 2-benzyl-N-(3-isoindolin-2-ium-2-ylpropyl)-1,3-benzoxazole-5-carboxamide CAS Name: N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-benzyl-N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-benzyl-N-(3-isoindolin-2-ium-2-ylpropyl)-1,3-benzoxazole-5-carboxamide Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C[NH+]1CCCNC(=O)C3=CC4=C(C=C3)OC(=N4)CC5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2C[NH+]1CCCNC(=O)C3=CC4=C(C=C3)OC(=N4)CC5=CC=CC=C5

InChI

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