[(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-phenethyl-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-phenethyl-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-2-methyl-4-phenethyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CCC3=CC=CC=C3)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2CCC3=CC=CC=C3)C)[NH3+]

InChI

InChI=1S/C20H24N2O2/c1-3-17(21)16-9-10-19-18(13-16)22(20(23)14(2)24-19)12-11-15-7-5-4-6-8-15/h4-10,13-14,17H,3,11-12,21H2,1-2H3/p+1/t14-,17+/m1/s1