(1R)-1-(6-azanyl-5-methyl-pyridin-1-ium-3-yl)-1-(benzotriazol-1-yl)-2-methyl-propan-2-ol

Systemtic Name: (1R)-1-(6-azanyl-5-methyl-pyridin-1-ium-3-yl)-1-(benzotriazol-1-yl)-2-methyl-propan-2-ol Openeye Name: (1R)-1-(6-amino-5-methyl-pyridin-1-ium-3-yl)-1-(benzotriazol-1-yl)-2-methyl-propan-2-ol CAS Name: (1R)-1-(6-amino-5-methyl-3-pyridin-1-iumyl)-1-(1-benzotriazolyl)-2-methyl-2-propanol IUPAC Name: (1R)-1-(6-amino-5-methylpyridin-1-ium-3-yl)-1-(benzotriazol-1-yl)-2-methylpropan-2-ol Traditional Name: (1R)-1-(6-amino-5-methyl-pyridin-1-ium-3-yl)-1-(benzotriazol-1-yl)-2-methyl-propan-2-ol Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC(=C1)C(C(C)(C)O)N2C3=CC=CC=C3N=N2)N

Isomeric SMILES

CC1=C([NH+]=CC(=C1)[C@H](C(C)(C)O)N2C3=CC=CC=C3N=N2)N

InChI

InChI=1S/C16H19N5O/c1-10-8-11(9-18-15(10)17)14(16(2,3)22)21-13-7-5-4-6-12(13)19-20-21/h4-9,14,22H,1-3H3,(H2,17,18)/p+1/t14-/m1/s1