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

Systemtic Name: 3-[6-(2-azanyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[6-(2-aminothiazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[6-(2-amino-4-thiazolyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[6-(2-amino-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[6-(2-aminothiazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C16H23N4OS+ MolecularWeight: 319.44502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1CCOC2=C1C=C(C=C2)C3=CSC(=N3)N

Isomeric SMILES

C[NH+](C)CCCN1CCOC2=C1C=C(C=C2)C3=CSC(=N3)N

InChI

InChI=1S/C16H22N4OS/c1-19(2)6-3-7-20-8-9-21-15-5-4-12(10-14(15)20)13-11-22-16(17)18-13/h4-5,10-11H,3,6-9H2,1-2H3,(H2,17,18)/p+1