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

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-(1,1,3,3-tetramethylbutyl)ammonium Formula: C23H33ClNO2+ MolecularWeight: 390.96662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C23H32ClNO2/c1-22(2,3)16-23(4,5)25-14-18-12-19(24)21(20(13-18)26-6)27-15-17-10-8-7-9-11-17/h7-13,25H,14-16H2,1-6H3/p+1