(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: (3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C20H27ClNO3+ MolecularWeight: 364.88628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)CO)Cl)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)CO)Cl)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26ClNO3/c1-4-24-18-11-16(12-22-20(2,3)14-23)10-17(21)19(18)25-13-15-8-6-5-7-9-15/h5-11,22-23H,4,12-14H2,1-3H3/p+1