(1S,2R)-2-(6-azanyl-5-methyl-pyridin-1-ium-3-yl)-2-(benzotriazol-1-yl)-1-phenyl-ethanol

Systemtic Name: (1S,2R)-2-(6-azanyl-5-methyl-pyridin-1-ium-3-yl)-2-(benzotriazol-1-yl)-1-phenyl-ethanol Openeye Name: (1S,2R)-2-(6-amino-5-methyl-pyridin-1-ium-3-yl)-2-(benzotriazol-1-yl)-1-phenyl-ethanol CAS Name: (1S,2R)-2-(6-amino-5-methyl-3-pyridin-1-iumyl)-2-(1-benzotriazolyl)-1-phenylethanol IUPAC Name: (1S,2R)-2-(6-amino-5-methylpyridin-1-ium-3-yl)-2-(benzotriazol-1-yl)-1-phenylethanol Traditional Name: (1S,2R)-2-(6-amino-5-methyl-pyridin-1-ium-3-yl)-2-(benzotriazol-1-yl)-1-phenyl-ethanol Formula: C20H20N5O+ MolecularWeight: 346.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC(=C1)C(C(C2=CC=CC=C2)O)N3C4=CC=CC=C4N=N3)N

Isomeric SMILES

CC1=C([NH+]=CC(=C1)[C@H]([C@H](C2=CC=CC=C2)O)N3C4=CC=CC=C4N=N3)N

InChI

InChI=1S/C20H19N5O/c1-13-11-15(12-22-20(13)21)18(19(26)14-7-3-2-4-8-14)25-17-10-6-5-9-16(17)23-24-25/h2-12,18-19,26H,1H3,(H2,21,22)/p+1/t18-,19+/m1/s1