[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]-phenethyl-azanium

Systemtic Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]-phenethyl-azanium Openeye Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxy-propyl]-phenethyl-ammonium CAS Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]-phenethylammonium IUPAC Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]-phenethylazanium Traditional Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxy-propyl]-phenethyl-ammonium Formula: C26H32NO4+ MolecularWeight: 422.53658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)OCC(C[NH2+]CCC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)OC[C@H](C[NH2+]CCC3=CC=CC=C3)O

InChI

InChI=1S/C26H31NO4/c1-29-24-12-8-21(9-13-24)26(22-10-14-25(30-2)15-11-22)31-19-23(28)18-27-17-16-20-6-4-3-5-7-20/h3-15,23,26-28H,16-19H2,1-2H3/p+1/t23-/m0/s1