(4R)-3-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-1,2-oxazol-5-one

Systemtic Name: (4R)-3-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-1,2-oxazol-5-one Openeye Name: (4R)-3-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-isoxazol-5-one CAS Name: (4R)-3-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-isoxazol-5-one IUPAC Name: (4R)-3-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-1,2-oxazol-5-one Traditional Name: (4R)-3-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-2-isoxazolin-5-one Formula: C15H17N2O2+ MolecularWeight: 257.30768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]C(=CC1)C2C(=NOC2=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH2+]C(=CC1)[C@@H]2C(=NOC2=O)C3=CC=CC=C3

InChI

InChI=1S/C15H16N2O2/c18-15-13(12-9-5-2-6-10-16-12)14(17-19-15)11-7-3-1-4-8-11/h1,3-4,7-9,13,16H,2,5-6,10H2/p+1/t13-/m1/s1