3-[(2R)-6-methyl-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]propylazanium

Systemtic Name: 3-[(2R)-6-methyl-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]propylazanium Openeye Name: 3-[(2R)-6-methyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propylammonium CAS Name: 3-[(2R)-6-methyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propylammonium IUPAC Name: 3-[(2R)-6-methyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propylazanium Traditional Name: 3-[(2R)-3-keto-6-methyl-2-phenyl-1,4-benzoxazin-4-yl]propylammonium Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2CCC[NH3+])C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](C(=O)N2CCC[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O2/c1-13-8-9-16-15(12-13)20(11-5-10-19)18(21)17(22-16)14-6-3-2-4-7-14/h2-4,6-9,12,17H,5,10-11,19H2,1H3/p+1/t17-/m1/s1