[(2S)-2,4-dicyanobutyl]-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [(2S)-2,4-dicyanobutyl]-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-methyl-azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[(2S)-2,4-dicyanobutyl]-methyl-ammonium CAS Name: [(2S)-2,4-dicyanobutyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-2,4-dicyanobutyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(2S)-2,4-dicyanobutyl]-methyl-ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CC(CCC#N)C#N

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C[C@H](CCC#N)C#N

InChI

InChI=1S/C22H25N3O2/c1-25(16-20(14-24)9-6-12-23)15-19-10-11-21(22(13-19)26-2)27-17-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,20H,6,9,15-17H2,1-2H3/p+1/t20-/m1/s1