tert-butyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium

Systemtic Name: tert-butyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium Openeye Name: 4-(4-benzyloxyphenoxy)butyl-tert-butyl-ammonium CAS Name: tert-butyl-[4-(4-phenylmethoxyphenoxy)butyl]ammonium IUPAC Name: tert-butyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium Traditional Name: 4-(4-benzoxyphenoxy)butyl-tert-butyl-ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[NH2+]CCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO2/c1-21(2,3)22-15-7-8-16-23-19-11-13-20(14-12-19)24-17-18-9-5-4-6-10-18/h4-6,9-14,22H,7-8,15-17H2,1-3H3/p+1