(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: (3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-(1,1,3,3-tetramethylbutyl)ammonium Formula: C24H35ClNO2+ MolecularWeight: 404.9932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34ClNO2/c1-7-27-21-14-19(15-26-24(5,6)17-23(2,3)4)13-20(25)22(21)28-16-18-11-9-8-10-12-18/h8-14,26H,7,15-17H2,1-6H3/p+1