3-[(2S)-6-azanyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2S)-6-azanyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C15H26N3O+ MolecularWeight: 264.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)N)CCC[NH+](C)C

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)N)CCC[NH+](C)C

InChI

InChI=1S/C15H25N3O/c1-4-13-11-18(9-5-8-17(2)3)14-10-12(16)6-7-15(14)19-13/h6-7,10,13H,4-5,8-9,11,16H2,1-3H3/p+1/t13-/m0/s1