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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-3-keto-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CCCOC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-3-19-21(24)23(12-7-13-25-17-8-5-4-6-9-17)18-14-16(15(2)22)10-11-20(18)26-19/h4-6,8-11,14-15,19H,3,7,12-13,22H2,1-2H3/p+1/t15-,19+/m0/s1