[(2R)-2-oxidanylpropyl]-[4-(4-phenylmethoxyphenoxy)butyl]azanium

Systemtic Name: [(2R)-2-oxidanylpropyl]-[4-(4-phenylmethoxyphenoxy)butyl]azanium Openeye Name: 4-(4-benzyloxyphenoxy)butyl-[(2R)-2-hydroxypropyl]ammonium CAS Name: [(2R)-2-hydroxypropyl]-[4-(4-phenylmethoxyphenoxy)butyl]ammonium IUPAC Name: [(2R)-2-hydroxypropyl]-[4-(4-phenylmethoxyphenoxy)butyl]azanium Traditional Name: 4-(4-benzoxyphenoxy)butyl-[(2R)-2-hydroxypropyl]ammonium Formula: C20H28NO3+ MolecularWeight: 330.44122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3/c1-17(22)15-21-13-5-6-14-23-19-9-11-20(12-10-19)24-16-18-7-3-2-4-8-18/h2-4,7-12,17,21-22H,5-6,13-16H2,1H3/p+1/t17-/m1/s1