3-[(2S)-6-(2-azanyl-5-methyl-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-5-methyl-1,3-thiazol-4-yl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-6-(2-amino-5-methyl-thiazol-4-yl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-6-(2-amino-5-methyl-4-thiazolyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-6-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-6-(2-amino-5-methyl-thiazol-4-yl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4OS/c1-5-15-12-23(10-6-9-22(3)4)16-11-14(7-8-17(16)24-15)18-13(2)25-19(20)21-18/h7-8,11,15H,5-6,9-10,12H2,1-4H3,(H2,20,21)/p+1/t15-/m0/s1