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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-4-(naphthalen-1-ylmethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-(1-naphthylmethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-4-(1-naphthalenylmethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-4-(naphthalen-1-ylmethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-3-keto-4-(1-naphthylmethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H24N2O2/c1-3-21-23(26)25(20-13-17(15(2)24)11-12-22(20)27-21)14-18-9-6-8-16-7-4-5-10-19(16)18/h4-13,15,21H,3,14,24H2,1-2H3/p+1/t15-,21+/m0/s1