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

Systemtic Name: [(1S)-1-[(2R)-4-(methoxymethyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-4-(methoxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-4-(methoxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-4-(methoxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-4-(methoxymethyl)-2-methyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2COC)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2COC)C)[NH3+]

InChI

InChI=1S/C14H20N2O3/c1-4-11(15)10-5-6-13-12(7-10)16(8-18-3)14(17)9(2)19-13/h5-7,9,11H,4,8,15H2,1-3H3/p+1/t9-,11+/m1/s1