[(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-(4-benzyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]ammonium CAS Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-(phenylmethyl)-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-(4-benzyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]azanium Traditional Name: [(1S)-1-(4-benzyl-3-keto-2,2-dimethyl-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)N2CC3=CC=CC=C3)(C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=CC=C3)(C)C)[NH3+]

InChI

InChI=1S/C20H24N2O2/c1-4-16(21)15-10-11-18-17(12-15)22(19(23)20(2,3)24-18)13-14-8-6-5-7-9-14/h5-12,16H,4,13,21H2,1-3H3/p+1/t16-/m0/s1