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

Systemtic Name: 3-[(2S)-6-(2-azanyl-1,3-thiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-6-(2-aminothiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-6-(2-amino-4-thiazolyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-6-(2-amino-1,3-thiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-6-(2-aminothiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=CC(=C2)C3=CSC(=N3)N)CCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4OS/c1-12-10-21(8-4-7-20(2)3)15-9-13(5-6-16(15)22-12)14-11-23-17(18)19-14/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H2,18,19)/p+1/t12-/m0/s1