[(1R,2S)-1-(benzotriazol-1-ylmethoxy)-1-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(1R,2S)-1-(benzotriazol-1-ylmethoxy)-1-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S,2R)-2-(benzotriazol-1-ylmethoxy)-1-methyl-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1R,2S)-1-(1-benzotriazolylmethoxy)-1-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(1R,2S)-1-(benzotriazol-1-ylmethoxy)-1-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S,2R)-2-(benzotriazol-1-ylmethoxy)-1-methyl-2-phenyl-ethyl]-dimethyl-ammonium Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)OCN2C3=CC=CC=C3N=N2)[NH+](C)C

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)OCN2C3=CC=CC=C3N=N2)[NH+](C)C

InChI

InChI=1S/C18H22N4O/c1-14(21(2)3)18(15-9-5-4-6-10-15)23-13-22-17-12-8-7-11-16(17)19-20-22/h4-12,14,18H,13H2,1-3H3/p+1/t14-,18-/m0/s1