(4-methoxyphenyl)methyl-[(2S)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(2S)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(2S)-3-(4-cumylphenoxy)-2-hydroxy-propyl]-p-anisyl-ammonium Formula: C26H32NO3+ MolecularWeight: 406.53718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(C[NH2+]CC3=CC=C(C=C3)OC)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC[C@H](C[NH2+]CC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C26H31NO3/c1-26(2,21-7-5-4-6-8-21)22-11-15-25(16-12-22)30-19-23(28)18-27-17-20-9-13-24(29-3)14-10-20/h4-16,23,27-28H,17-19H2,1-3H3/p+1/t23-/m0/s1