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

Systemtic Name: (3-chloranyl-4-phenylmethoxy-phenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: (4-benzyloxy-3-chloro-phenyl)methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: (3-chloro-4-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: (3-chloro-4-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: (4-benzoxy-3-chloro-benzyl)-(1,1,3,3-tetramethylbutyl)ammonium Formula: C22H31ClNO+ MolecularWeight: 360.94064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClNO/c1-21(2,3)16-22(4,5)24-14-18-11-12-20(19(23)13-18)25-15-17-9-7-6-8-10-17/h6-13,24H,14-16H2,1-5H3/p+1