[3-methoxy-4-[(2R)-2-oxidanyl-2-(2,4,5-trimethylphenyl)ethoxy]phenyl]methyl-phenethyl-azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-2-(2,4,5-trimethylphenyl)ethoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [4-[(2R)-2-hydroxy-2-(2,4,5-trimethylphenyl)ethoxy]-3-methoxy-phenyl]methyl-phenethyl-ammonium CAS Name: [4-[(2R)-2-hydroxy-2-(2,4,5-trimethylphenyl)ethoxy]-3-methoxyphenyl]methyl-phenethylammonium IUPAC Name: [4-[(2R)-2-hydroxy-2-(2,4,5-trimethylphenyl)ethoxy]-3-methoxyphenyl]methyl-phenethylazanium Traditional Name: [4-[(2R)-2-hydroxy-2-(2,4,5-trimethylphenyl)ethoxy]-3-methoxy-benzyl]-phenethyl-ammonium Formula: C27H34NO3+ MolecularWeight: 420.56376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C(COC2=C(C=C(C=C2)C[NH2+]CCC3=CC=CC=C3)OC)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[C@H](COC2=C(C=C(C=C2)C[NH2+]CCC3=CC=CC=C3)OC)O)C

InChI

InChI=1S/C27H33NO3/c1-19-14-21(3)24(15-20(19)2)25(29)18-31-26-11-10-23(16-27(26)30-4)17-28-13-12-22-8-6-5-7-9-22/h5-11,14-16,25,28-29H,12-13,17-18H2,1-4H3/p+1/t25-/m0/s1