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

Systemtic Name: [(1R)-1-[(2S)-2-ethyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1R)-1-[(2S)-2-ethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1R)-1-[(2S)-2-ethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1R)-1-[(2S)-2-ethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1R)-1-[(2S)-4-amyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)C(CC)[NH3+])OC(C1=O)CC

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)[C@@H](CC)[NH3+])O[C@H](C1=O)CC

InChI

InChI=1S/C18H28N2O2/c1-4-7-8-11-20-15-12-13(14(19)5-2)9-10-17(15)22-16(6-3)18(20)21/h9-10,12,14,16H,4-8,11,19H2,1-3H3/p+1/t14-,16+/m1/s1