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

Systemtic Name: 3-[(2S)-6-(2-azanyl-1,3-thiazol-4-yl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-6-(2-aminothiazol-4-yl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-6-(2-amino-4-thiazolyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-6-(2-amino-1,3-thiazol-4-yl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-6-(2-aminothiazol-4-yl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C3=CSC(=N3)N)CCC[NH+](C)C

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)C3=CSC(=N3)N)CCC[NH+](C)C

InChI

InChI=1S/C18H26N4OS/c1-4-14-11-22(9-5-8-21(2)3)16-10-13(6-7-17(16)23-14)15-12-24-18(19)20-15/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H2,19,20)/p+1/t14-/m0/s1