N-cyclopropyl-2-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: N-cyclopropyl-2-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: N-cyclopropyl-2-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: N-cyclopropyl-2-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: N-cyclopropyl-2-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: N-cyclopropyl-2-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC=C1)[N+](=C(O2)C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CCCC1=C2C(=CC=C1)[N+](=C(O2)C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C20H20N2O2/c1-2-7-14-10-6-11-17-18(14)24-19(15-8-4-3-5-9-15)22(17)20(23)21-16-12-13-16/h3-6,8-11,16H,2,7,12-13H2,1H3/p+1