2-(4-methoxyphenyl)ethyl-bis[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-bis[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: bis[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: bis[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: bis[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: bis[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C29H38NO5+ MolecularWeight: 480.61572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C[NH+](CCC2=CC=C(C=C2)OC)CC(COC3=CC=C(C=C3)C)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](C[NH+](CCC2=CC=C(C=C2)OC)C[C@@H](COC3=CC=C(C=C3)C)O)O

InChI

InChI=1S/C29H37NO5/c1-22-4-10-28(11-5-22)34-20-25(31)18-30(17-16-24-8-14-27(33-3)15-9-24)19-26(32)21-35-29-12-6-23(2)7-13-29/h4-15,25-26,31-32H,16-21H2,1-3H3/p+1/t25-,26-/m0/s1