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

Systemtic Name: [(1S)-2-methoxy-1-[(2S)-3-oxidanylidene-2-propan-2-yl-4-propyl-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2S)-2-isopropyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1S)-2-methoxy-1-[(2S)-3-oxo-2-propan-2-yl-4-propyl-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-2-methoxy-1-[(2S)-3-oxo-2-propan-2-yl-4-propyl-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2S)-2-isopropyl-3-keto-4-propyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-5-8-19-14-9-12(13(18)10-21-4)6-7-15(14)22-16(11(2)3)17(19)20/h6-7,9,11,13,16H,5,8,10,18H2,1-4H3/p+1/t13-,16+/m1/s1