4-[(2S)-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]butylazanium

Systemtic Name: 4-[(2S)-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]butylazanium Openeye Name: 4-[(2S)-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]butylammonium CAS Name: 4-[(2S)-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]butylammonium IUPAC Name: 4-[(2S)-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]butylazanium Traditional Name: 4-[(2S)-3-keto-2-phenyl-1,4-benzoxazin-4-yl]butylammonium Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)N(C3=CC=CC=C3O2)CCCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C(=O)N(C3=CC=CC=C3O2)CCCC[NH3+]

InChI

InChI=1S/C18H20N2O2/c19-12-6-7-13-20-15-10-4-5-11-16(15)22-17(18(20)21)14-8-2-1-3-9-14/h1-5,8-11,17H,6-7,12-13,19H2/p+1/t17-/m0/s1