1-[(3-azanyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-7-yl)oxy]-3-(ethylamino)propan-2-ol

Systemtic Name: 1-[(3-azanyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-7-yl)oxy]-3-(ethylamino)propan-2-ol Openeye Name: 1-[(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]-3-(ethylamino)propan-2-ol CAS Name: 1-[(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]-3-(ethylamino)-2-propanol IUPAC Name: 1-[(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]-3-(ethylamino)propan-2-ol Traditional Name: 1-[(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]-3-(ethylamino)propan-2-ol Formula: C12H17N5O3 MolecularWeight: 279.29508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC(COC1=CC2=C(C=C1)N=C(N=[N+]2[O-])N)O

Isomeric SMILES

CCNCC(COC1=CC2=C(C=C1)N=C(N=[N+]2[O-])N)O

InChI

InChI=1S/C12H17N5O3/c1-2-14-6-8(18)7-20-9-3-4-10-11(5-9)17(19)16-12(13)15-10/h3-5,8,14,18H,2,6-7H2,1H3,(H2,13,15,16)