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

Systemtic Name: [(1S)-1-[(2S)-2-ethyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1S)-1-[(2S)-2-ethyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1S)-1-[(2S)-2-ethyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1S)-1-[(2S)-2-ethyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1S)-1-[(2S)-2-ethyl-3-keto-4-propyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(COC)[NH3+])OC(C1=O)CC

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)[C@@H](COC)[NH3+])O[C@H](C1=O)CC

InChI

InChI=1S/C16H24N2O3/c1-4-8-18-13-9-11(12(17)10-20-3)6-7-15(13)21-14(5-2)16(18)19/h6-7,9,12,14H,4-5,8,10,17H2,1-3H3/p+1/t12-,14+/m1/s1