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

Systemtic Name: (2R)-2-(6-azanyl-5-methyl-pyridin-1-ium-3-yl)-2-(benzotriazol-1-yl)-1,1-diphenyl-ethanol Openeye Name: (2R)-2-(6-amino-5-methyl-pyridin-1-ium-3-yl)-2-(benzotriazol-1-yl)-1,1-diphenyl-ethanol CAS Name: (2R)-2-(6-amino-5-methyl-3-pyridin-1-iumyl)-2-(1-benzotriazolyl)-1,1-diphenylethanol IUPAC Name: (2R)-2-(6-amino-5-methylpyridin-1-ium-3-yl)-2-(benzotriazol-1-yl)-1,1-diphenylethanol Traditional Name: (2R)-2-(6-amino-5-methyl-pyridin-1-ium-3-yl)-2-(benzotriazol-1-yl)-1,1-diphenyl-ethanol Formula: C26H24N5O+ MolecularWeight: 422.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC(=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)N4C5=CC=CC=C5N=N4)N

Isomeric SMILES

CC1=C([NH+]=CC(=C1)[C@H](C(C2=CC=CC=C2)(C3=CC=CC=C3)O)N4C5=CC=CC=C5N=N4)N

InChI

InChI=1S/C26H23N5O/c1-18-16-19(17-28-25(18)27)24(31-23-15-9-8-14-22(23)29-30-31)26(32,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-17,24,32H,1H3,(H2,27,28)/p+1/t24-/m1/s1