bis(benzotriazol-1-ylmethyl)-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: bis(benzotriazol-1-ylmethyl)-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: bis(benzotriazol-1-ylmethyl)-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: bis(1-benzotriazolylmethyl)-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: bis(benzotriazol-1-ylmethyl)-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: bis(benzotriazol-1-ylmethyl)-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C23H24N7O+ MolecularWeight: 414.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH+](CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH+](CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H23N7O/c1-17(23(31)18-9-3-2-4-10-18)28(15-29-21-13-7-5-11-19(21)24-26-29)16-30-22-14-8-6-12-20(22)25-27-30/h2-14,17,23,31H,15-16H2,1H3/p+1/t17-,23-/m1/s1