3-[(2S)-6-(2-azanyl-5-methyl-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-5-methyl-1,3-thiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-6-(2-amino-5-methyl-thiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-6-(2-amino-5-methyl-4-thiazolyl)-2-methyl-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-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-6-(2-amino-5-methyl-thiazol-4-yl)-2-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4OS/c1-12-11-22(9-5-8-21(3)4)15-10-14(6-7-16(15)23-12)17-13(2)24-18(19)20-17/h6-7,10,12H,5,8-9,11H2,1-4H3,(H2,19,20)/p+1/t12-/m0/s1