tert-butyl-[[3-chloranyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: tert-butyl-[[3-chloranyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: tert-butyl-[[3-chloro-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: tert-butyl-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: tert-butyl-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: tert-butyl-[3-chloro-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C21H29ClNO2+ MolecularWeight: 362.91346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO2/c1-6-24-19-12-17(13-23-21(3,4)5)11-18(22)20(19)25-14-16-9-7-15(2)8-10-16/h7-12,23H,6,13-14H2,1-5H3/p+1