(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(2-methylpropyl)azanium

Systemtic Name: (3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(2-methylpropyl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-isobutyl-ammonium CAS Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(2-methylpropyl)ammonium IUPAC Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(2-methylpropyl)azanium Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-isobutyl-ammonium Formula: C20H27ClNO2+ MolecularWeight: 348.88688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClNO2/c1-4-23-19-11-17(13-22-12-15(2)3)10-18(21)20(19)24-14-16-8-6-5-7-9-16/h5-11,15,22H,4,12-14H2,1-3H3/p+1